N-(3-chloranyl-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-24-15-7-6-13(8-14(15)18)21-16(23)12-4-2-11(3-5-12)9-25-17-19-10-20-22-17/h2-8,10H,9H2,1H3,(H,21,23)(H,19,20,22)