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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-methoxyphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(4-methoxyanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(p-anisidino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C23H16ClFN2O3S MolecularWeight: 454.901143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C23H16ClFN2O3S/c1-30-16-10-7-14(8-11-16)26-20-21(31-17-5-3-2-4-6-17)23(29)27(22(20)28)15-9-12-19(25)18(24)13-15/h2-13,26H,1H3