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

Systemtic Name: diethyl 4-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C32H37N3O4S MolecularWeight: 559.71888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OCC)C)C)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=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/C32H37N3O4S/c1-6-9-19-40-25-17-15-23(16-18-25)30-26(20-35(34-30)24-13-11-10-12-14-24)29-27(31(36)38-7-2)21(4)33-22(5)28(29)32(37)39-8-3/h10-18,20,29,33H,6-9,19H2,1-5H3