1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4OS/c1-17-12-14-21(15-13-17)28-23(20-10-5-4-6-11-20)25-26-24(28)30-16-22(29)27-18(2)8-7-9-19(27)3/h4-6,10-15,18-19H,7-9,16H2,1-3H3