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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)amino]-1-(2,4-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-methoxy-anilino)-1-(2,4-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-methoxyanilino)-1-(2,4-dimethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-methoxyanilino)-1-(2,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-methoxy-anilino)-1-(2,4-dimethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O3S/c1-15-9-11-20(16(2)13-15)28-24(29)22(27-17-10-12-21(31-3)19(26)14-17)23(25(28)30)32-18-7-5-4-6-8-18/h4-14,27H,1-3H3