1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidine

Systemtic Name: 1-[(7-methoxy-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-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidine CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[(7-methoxy-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-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidine Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC=C)C2CCCN(C2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C20H26N4O3S/c1-4-8-28-20-22-21-19(23(20)2)15-6-5-7-24(12-15)11-14-9-16(25-3)18-17(10-14)26-13-27-18/h4,9-10,15H,1,5-8,11-13H2,2-3H3