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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one Openeye Name: 1-[(3S)-3-methyl-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-[(3S)-3-methyl-1-piperidinyl]-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one Traditional Name: 1-[(3S)-3-methylpiperidino]-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H24N4OS/c1-13-5-7-15(8-6-13)17-19-20-18(24)22(17)11-9-16(23)21-10-3-4-14(2)12-21/h5-8,14H,3-4,9-12H2,1-2H3,(H,20,24)/t14-/m0/s1