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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-13-7-9-15(10-8-13)17-20-18(22-21-17)24-12-16(23)19-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,23)(H,20,21,22)