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

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-1-(3,5-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-methyl-anilino)-1-(3,5-dimethylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-methylanilino)-1-(3,5-dimethylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-methylanilino)-1-(3,5-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-methyl-anilino)-1-(3,5-dimethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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