3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-fluoro-anilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-fluoroanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-fluoroanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-fluoro-anilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C24H20ClFN4O2S MolecularWeight: 482.957603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C24H20ClFN4O2S/c1-14-12-15(2)28-24(27-14)33-21-20(29-17-8-9-19(26)18(25)13-17)22(31)30(23(21)32)11-10-16-6-4-3-5-7-16/h3-9,12-13,29H,10-11H2,1-2H3