3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 1-(1-piperidyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 1-piperidino-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-13-5-7-14(8-6-13)16-18-19-17(23)21(16)12-9-15(22)20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,19,23)