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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2,5-dimethoxyphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(2,5-dimethoxyanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-(2,5-dimethoxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(2,5-dimethoxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(2,5-dimethoxyanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O4S/c1-15-9-10-16(13-19(15)26)28-24(29)22(23(25(28)30)33-18-7-5-4-6-8-18)27-20-14-17(31-2)11-12-21(20)32-3/h4-14,27H,1-3H3