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

Systemtic Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2-methyl-piperidine Openeye Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2-methyl-piperidine CAS Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-2-methylpiperidine IUPAC Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]-2-methylpiperidine Traditional Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]-2-methyl-piperidine Formula: C24H26N4S MolecularWeight: 402.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4S/c1-20-12-8-9-17-27(20)18-10-11-19-29-24-26-25-23(21-13-4-2-5-14-21)28(24)22-15-6-3-7-16-22/h2-7,13-16,20H,8-9,12,17-19H2,1H3