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

Systemtic Name: bis(2-methylpropyl) 4-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diisobutyl 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(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 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 diisobutyl ester Formula: C36H45N3O4S MolecularWeight: 615.8252

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

InChI

InChI=1S/C36H45N3O4S/c1-8-9-19-44-29-17-15-27(16-18-29)34-30(20-39(38-34)28-13-11-10-12-14-28)33-31(35(40)42-21-23(2)3)25(6)37-26(7)32(33)36(41)43-22-24(4)5/h10-18,20,23-24,33,37H,8-9,19,21-22H2,1-7H3