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

Systemtic Name: bis(prop-2-enyl) 4-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diallyl 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 bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 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 diallyl ester Formula: C34H37N3O4S MolecularWeight: 583.74028

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

Isomeric SMILES

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

InChI

InChI=1S/C34H37N3O4S/c1-6-9-21-42-27-17-15-25(16-18-27)32-28(22-37(36-32)26-13-11-10-12-14-26)31-29(33(38)40-19-7-2)23(4)35-24(5)30(31)34(39)41-20-8-3/h7-8,10-18,22,31,35H,2-3,6,9,19-21H2,1,4-5H3