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

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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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)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-30-22-12-11-21(14-20(22)13-17-5-3-2-4-6-17)27-23(29)19-9-7-18(8-10-19)15-31-24-25-16-26-28-24/h2-12,14,16H,13,15H2,1H3,(H,27,29)(H,25,26,28)