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

Systemtic Name: bis(prop-2-enyl) 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diallyl 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(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 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 diallyl ester Formula: C33H35N3O4S MolecularWeight: 569.7137

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

InChI

InChI=1S/C33H35N3O4S/c1-6-18-39-32(37)28-22(4)34-23(5)29(33(38)40-19-7-2)30(28)27-21-36(25-12-10-9-11-13-25)35-31(27)24-14-16-26(17-15-24)41-20-8-3/h6-7,9-17,21,30,34H,1-2,8,18-20H2,3-5H3