1-(4-butylphenyl)-3-phenylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-phenylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-phenylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(phenylthio)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-phenylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(phenylthio)-4-[3-(trifluoromethyl)anilino]-3-pyrroline-2,5-quinone Formula: C27H23F3N2O2S MolecularWeight: 496.54393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H23F3N2O2S/c1-2-3-8-18-13-15-21(16-14-18)32-25(33)23(24(26(32)34)35-22-11-5-4-6-12-22)31-20-10-7-9-19(17-20)27(28,29)30/h4-7,9-17,31H,2-3,8H2,1H3