N-(phenylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(phenylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-benzyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(phenylmethyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-benzyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-benzyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C17H16N4OS/c22-16(18-10-13-4-2-1-3-5-13)15-8-6-14(7-9-15)11-23-17-19-12-20-21-17/h1-9,12H,10-11H2,(H,18,22)(H,19,20,21)