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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: N-(1-methylbutyl)-2-[[4-(o-tolyl)-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=NN=CN1C2=CC=CC=C2C

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=CN1C2=CC=CC=C2C

InChI

InChI=1S/C16H22N4OS/c1-4-7-13(3)18-15(21)10-22-16-19-17-11-20(16)14-9-6-5-8-12(14)2/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,18,21)