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

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C)C

InChI

InChI=1S/C19H26N4OS/c1-13-5-4-6-16(10-13)18-20-21-19(25)23(18)8-7-17(24)22-11-14(2)9-15(3)12-22/h4-6,10,14-15H,7-9,11-12H2,1-3H3,(H,21,25)