1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperonyl-piperidine Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O2S/c1-26-22(24-25-23(26)30-15-17-6-3-2-4-7-17)19-8-5-11-27(14-19)13-18-9-10-20-21(12-18)29-16-28-20/h2-4,6-7,9-10,12,19H,5,8,11,13-16H2,1H3