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

Systemtic Name: bis(2-methoxyethyl) 4-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-methoxyethyl) 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-methoxyethyl) ester IUPAC Name: bis(2-methoxyethyl) 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 bis(2-methoxyethyl) ester Formula: C34H41N3O6S MolecularWeight: 619.77084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41N3O6S/c1-6-7-21-44-27-15-13-25(14-16-27)32-28(22-37(36-32)26-11-9-8-10-12-26)31-29(33(38)42-19-17-40-4)23(2)35-24(3)30(31)34(39)43-20-18-41-5/h8-16,22,31,35H,6-7,17-21H2,1-5H3