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

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4OS/c1-17-13-18(2)15-26(14-17)21(28)16-29-23-25-24-22(19-9-5-3-6-10-19)27(23)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3