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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-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-pentan-2-ylacetamide IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: N-(1-methylbutyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N4OS/c1-4-5-12(3)17-14(21)10-22-16-18-15(19-20-16)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,17,21)(H,18,19,20)