1-(3-chloranyl-4-methyl-phenyl)-3-[(4-methylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(4-methylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(4-methylanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-(4-methylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(4-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(p-toluidino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)SC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)SC4=CC=C(C=C4)C

InChI

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