N-(6-methylheptan-2-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(6-methylheptan-2-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1,5-dimethylhexyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(6-methylheptan-2-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(6-methylheptan-2-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(1,5-dimethylhexyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H30N4OS MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(C)CCCC(C)C

InChI

InChI=1S/C20H30N4OS/c1-14(2)6-5-7-16(4)21-18(25)12-13-24-19(22-23-20(24)26)17-10-8-15(3)9-11-17/h8-11,14,16H,5-7,12-13H2,1-4H3,(H,21,25)(H,23,26)