36P

2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

Created:	2013-05-18
Last modified:	2014-09-05

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1 entries where 36P 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	16

2D diagram of 36P

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Chemical Component Summary
Name	2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
Systematic Name (OpenEye OEToolkits)	2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
Formula	C₁₆ H₁₂ N₂ O S₂
Molecular Weight	312.409
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1nc(sc1)c2cscc2)N4c3ccccc3CC4
SMILES	CACTVS	3.385	O=C(N1CCc2ccccc12)c3csc(n3)c4cscc4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4
Canonical SMILES	CACTVS	3.385	O=C(N1CCc2ccccc12)c3csc(n3)c4cscc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4
InChI	InChI	1.03	InChI=1S/C16H12N2OS2/c19-16(18-7-5-11-3-1-2-4-14(11)18)13-10-21-15(17-13)12-6-8-20-9-12/h1-4,6,8-10H,5,7H2
InChIKey	InChI	1.03	IJYXCHGILIEIHU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9535581

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