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

Systemtic Name: 1-(furan-3-ylmethyl)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-(3-furylmethyl)piperidine CAS Name: 1-(3-furanylmethyl)-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)piperidine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-(3-furfuryl)piperidine Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=COC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=COC=C4

InChI

InChI=1S/C20H24N4OS/c1-23-19(21-22-20(23)26-15-16-6-3-2-4-7-16)18-8-5-10-24(13-18)12-17-9-11-25-14-17/h2-4,6-7,9,11,14,18H,5,8,10,12-13,15H2,1H3