3-[(3-chlorophenyl)amino]-1-(4-ethylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-[(3-chlorophenyl)amino]-1-(4-ethylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloroanilino)-1-(4-ethylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3-chloroanilino)-1-(4-ethylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(3-chloroanilino)-1-(4-ethylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(3-chloroanilino)-1-(4-ethylphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O2S/c1-3-17-9-11-20(12-10-17)28-24(29)22(27-19-6-4-5-18(26)15-19)23(25(28)30)31-21-13-7-16(2)8-14-21/h4-15,27H,3H2,1-2H3