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

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3-chloro-2-methyl-anilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3-chloro-2-methylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3-chloro-2-methylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3-chloro-2-methyl-anilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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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=C(C(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O2S/c1-3-4-9-19-14-16-20(17-15-19)30-26(31)24(29-23-13-8-12-22(28)18(23)2)25(27(30)32)33-21-10-6-5-7-11-21/h5-8,10-17,29H,3-4,9H2,1-2H3