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

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-fluoro-anilino)-1-(4-phenoxyphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-fluoroanilino)-1-(4-phenoxyphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-fluoroanilino)-1-(4-phenoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-fluoro-anilino)-1-(4-phenoxyphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H18ClFN2O3S MolecularWeight: 516.970523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C(=C(C3=O)SC4=CC=CC=C4)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C(=C(C3=O)SC4=CC=CC=C4)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C28H18ClFN2O3S/c29-23-17-18(11-16-24(23)30)31-25-26(36-22-9-5-2-6-10-22)28(34)32(27(25)33)19-12-14-21(15-13-19)35-20-7-3-1-4-8-20/h1-17,31H