dipropan-2-yl 3-(4-methylphenyl)-5-methylsulfanyl-1,2,3-triazolidine-1,2-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(4-methylphenyl)-5-methylsulfanyl-1,2,3-triazolidine-1,2-dicarboxylate Openeye Name: diisopropyl 5-methylsulfanyl-3-(p-tolyl)triazolidine-1,2-dicarboxylate CAS Name: 3-(4-methylphenyl)-5-(methylthio)triazolidine-1,2-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(4-methylphenyl)-5-methylsulfanyltriazolidine-1,2-dicarboxylate Traditional Name: 5-(methylthio)-3-(p-tolyl)triazolidine-1,2-dicarboxylic acid diisopropyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(N(N2C(=O)OC(C)C)C(=O)OC(C)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(N(N2C(=O)OC(C)C)C(=O)OC(C)C)SC

InChI

InChI=1S/C18H27N3O4S/c1-12(2)24-17(22)20-16(26-6)11-19(15-9-7-14(5)8-10-15)21(20)18(23)25-13(3)4/h7-10,12-13,16H,11H2,1-6H3