2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c23-16(19-11-14-7-3-1-4-8-14)13-25-18-21-20-17(24)22(18)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,23)(H,20,24)