8-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline Openeye Name: 8-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]quinoline CAS Name: 8-[[3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]quinoline IUPAC Name: 8-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 8-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]quinoline Formula: C25H27N5S MolecularWeight: 429.58038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H27N5S/c1-29-24(27-28-25(29)31-18-19-8-3-2-4-9-19)22-13-7-15-30(17-22)16-21-11-5-10-20-12-6-14-26-23(20)21/h2-6,8-12,14,22H,7,13,15-18H2,1H3