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

Systemtic Name: 1-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]piperidine Openeye Name: 1-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]piperidine CAS Name: 1-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]piperidine IUPAC Name: 1-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]piperidine Traditional Name: 1-[4-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]piperidine Formula: C23H30N4S MolecularWeight: 394.5761

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC#CCN3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC#CCN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4S/c1-4-12-20(13-5-1)22-24-25-23(27(22)21-14-6-2-7-15-21)28-19-11-10-18-26-16-8-3-9-17-26/h1,4-5,12-13,21H,2-3,6-9,14-19H2