4-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide

Systemtic Name: 4-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide Openeye Name: 4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide CAS Name: 4-[[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-(2,5-dimethoxyphenyl)benzamide IUPAC Name: 4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,5-dimethoxyphenyl)benzamide Traditional Name: 4-[[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-(2,5-dimethoxyphenyl)benzamide Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)N

InChI

InChI=1S/C24H23N5O3S/c1-31-19-12-13-21(32-2)20(14-19)26-22(30)17-10-8-16(9-11-17)15-33-24-28-27-23(25)29(24)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H2,25,27)(H,26,30)