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

Systemtic Name: N-butan-2-yl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-sec-butyl-propanamide CAS Name: N-butan-2-yl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-butan-2-yl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-sec-butyl-propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

InChI

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