N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl)OC

InChI

InChI=1S/C18H17ClN4O3S/c1-25-15-8-16(26-2)14(7-13(15)19)22-17(24)12-5-3-11(4-6-12)9-27-18-20-10-21-23-18/h3-8,10H,9H2,1-2H3,(H,22,24)(H,20,21,23)