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

Systemtic Name: 8-methoxy-2-[[3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinoline Openeye Name: 2-[[3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]-8-methoxy-quinoline CAS Name: 8-methoxy-2-[[3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]quinoline IUPAC Name: 8-methoxy-2-[[3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 2-[[3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]methyl]-8-methoxy-quinoline Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=NC4=C(C=CC=C4OC)C=C3

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=NC4=C(C=CC=C4OC)C=C3

InChI

InChI=1S/C22H27N5OS/c1-4-13-29-22-25-24-21(26(22)2)17-8-6-12-27(14-17)15-18-11-10-16-7-5-9-19(28-3)20(16)23-18/h4-5,7,9-11,17H,1,6,8,12-15H2,2-3H3