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

Systemtic Name: bis(2-methylpropyl) 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 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 bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 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 diisobutyl ester Formula: C35H43N3O4S MolecularWeight: 601.79862

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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)C)C(=O)OCC(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C35H43N3O4S/c1-8-18-43-28-16-14-26(15-17-28)33-29(19-38(37-33)27-12-10-9-11-13-27)32-30(34(39)41-20-22(2)3)24(6)36-25(7)31(32)35(40)42-21-23(4)5/h9-17,19,22-23,32,36H,8,18,20-21H2,1-7H3