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

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-1-(2,5-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-methyl-anilino)-1-(2,5-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-methylanilino)-1-(2,5-dimethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-methylanilino)-1-(2,5-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-methyl-anilino)-1-(2,5-dimethylphenyl)-4-(phenylthio)-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)C)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=C(C=C4)C)Cl

InChI

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