N-cyclooctyl-4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine-1-carbothioamide

Systemtic Name: N-cyclooctyl-4-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine-1-carbothioamide Openeye Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-cyclooctyl-piperidine-1-carbothioamide CAS Name: N-cyclooctyl-4-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinecarbothioamide IUPAC Name: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-cyclooctylpiperidine-1-carbothioamide Traditional Name: 4-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-N-cyclooctyl-piperidine-1-carbothioamide Formula: C24H35N5S2 MolecularWeight: 457.6982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)C(=S)NC4CCCCCCC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCN(CC3)C(=S)NC4CCCCCCC4

InChI

InChI=1S/C24H35N5S2/c1-28-22(26-27-24(28)31-18-19-10-6-5-7-11-19)20-14-16-29(17-15-20)23(30)25-21-12-8-3-2-4-9-13-21/h5-7,10-11,20-21H,2-4,8-9,12-18H2,1H3,(H,25,30)