1-(4-butylphenyl)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C32H32N4O3S MolecularWeight: 552.68648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C32H32N4O3S/c1-5-6-10-23-15-17-24(18-16-23)35-30(37)28(29(32(35)39)40-26-19-13-21(2)14-20-26)33-27-22(3)34(4)36(31(27)38)25-11-8-7-9-12-25/h7-9,11-20,33H,5-6,10H2,1-4H3