1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine Openeye Name: 3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidine CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine Traditional Name: 3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C19H23ClN4O2S/c1-3-7-27-19-22-21-18(23(19)2)13-5-4-6-24(10-13)11-14-8-16-17(9-15(14)20)26-12-25-16/h3,8-9,13H,1,4-7,10-12H2,2H3