6-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline

Systemtic Name: 6-[[3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline Openeye Name: 6-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]quinoline CAS Name: 6-[[3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]quinoline IUPAC Name: 6-[[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 6-[[3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]quinoline Formula: C25H27N5S MolecularWeight: 429.58038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)CC4=CC5=C(C=C4)N=CC=C5

InChI

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