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

Systemtic Name: N-(3-methylbutyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-isopentyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-11(2)8-9-17-14(21)10-22-16-18-15(19-20-16)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,17,21)(H,18,19,20)