1-(4-ethylphenyl)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(4-ethylphenyl)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-ethylphenyl)-3-(4-isopropylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-ethylphenyl)-3-(phenylthio)-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-ethylphenyl)-3-phenylsulfanyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 3-cumidino-1-(4-ethylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H26N2O2S/c1-4-19-10-16-22(17-11-19)29-26(30)24(28-21-14-12-20(13-15-21)18(2)3)25(27(29)31)32-23-8-6-5-7-9-23/h5-18,28H,4H2,1-3H3