dimethyl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4S/c1-6-16-37-22-14-12-20(13-15-22)27-23(17-32(31-27)21-10-8-7-9-11-21)26-24(28(33)35-4)18(2)30-19(3)25(26)29(34)36-5/h7-15,17,26,30H,6,16H2,1-5H3