VZS

N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea

Created:	2020-09-24
Last modified:	2020-11-11

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4 entries where VZS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	11

2D diagram of VZS

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Chemical Component Summary
Name	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
Systematic Name (OpenEye OEToolkits)	1-(2-methoxy-5-methyl-phenyl)-3-(1,2,4-triazol-4-yl)urea
Formula	C₁₁ H₁₃ N₅ O₂
Molecular Weight	247.253
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
SMILES	CACTVS	3.385	COc1ccc(C)cc1NC(=O)Nn2cnnc2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(C)cc1NC(=O)Nn2cnnc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC
InChI	InChI	1.03	InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
InChIKey	InChI	1.03	WMVVWYCMGLIOCC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	971791
ChEMBL	CHEMBL1490395

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