8XY

6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

Created:	2017-03-18
Last modified:	2020-04-01

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1 entries where 8XY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	20

2D diagram of 8XY

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Chemical Component Summary
Name	6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	6-bromanyl-~{N}-(1~{H}-indol-4-yl)-1-benzothiophene-2-carboxamide
Formula	C₁₇ H₁₁ Br N₂ O S
Molecular Weight	371.251
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4
SMILES	CACTVS	3.385	Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br
Canonical SMILES	CACTVS	3.385	Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br
InChI	InChI	1.03	InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKey	InChI	1.03	REBSMDZUSJUELV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146014943

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