3-[(2-fluorophenyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[(2-fluorophenyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(2-fluoroanilino)-1-phenethyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(2-fluoroanilino)-4-[(4-methylphenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(2-fluoroanilino)-4-(4-methylphenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(2-fluoroanilino)-1-phenethyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=CC=CC=C4F

InChI

InChI=1S/C25H21FN2O2S/c1-17-11-13-19(14-12-17)31-23-22(27-21-10-6-5-9-20(21)26)24(29)28(25(23)30)16-15-18-7-3-2-4-8-18/h2-14,27H,15-16H2,1H3