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

Systemtic Name: 3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine Openeye Name: 3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine CAS Name: 3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine IUPAC Name: 3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine Traditional Name: 3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-(2,3,4-trimethoxybenzyl)piperidine Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-6-12-29-21-23-22-20(24(21)2)16-8-7-11-25(14-16)13-15-9-10-17(26-3)19(28-5)18(15)27-4/h6,9-10,16H,1,7-8,11-14H2,2-5H3