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

Systemtic Name: diethyl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O4S/c1-6-18-39-24-16-14-22(15-17-24)29-25(19-34(33-29)23-12-10-9-11-13-23)28-26(30(35)37-7-2)20(4)32-21(5)27(28)31(36)38-8-3/h9-17,19,28,32H,6-8,18H2,1-5H3