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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)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-[(3,4-dimethoxyphenyl)methyl]piperidine CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[(3,4-dimethoxyphenyl)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-veratryl-piperidine Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-5-11-27-20-22-21-19(23(20)2)16-7-6-10-24(14-16)13-15-8-9-17(25-3)18(12-15)26-4/h5,8-9,12,16H,1,6-7,10-11,13-14H2,2-4H3