1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2,6-dimethyl-piperidine

Systemtic Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2,6-dimethyl-piperidine Openeye Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2,6-dimethyl-piperidine CAS Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-2,6-dimethylpiperidine IUPAC Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2,6-dimethylpiperidine Traditional Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-2,6-dimethyl-piperidine Formula: C25H28N4S MolecularWeight: 416.58162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4S/c1-20-12-11-13-21(2)28(20)18-9-10-19-30-25-27-26-24(22-14-5-3-6-15-22)29(25)23-16-7-4-8-17-23/h3-8,14-17,20-21H,11-13,18-19H2,1-2H3