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

Systemtic Name: 1-(4-butylphenyl)-3-[(5-chloranyl-2-oxidanyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxy-anilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxy-anilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O3S/c1-2-3-7-17-10-13-19(14-11-17)29-25(31)23(28-21-16-18(27)12-15-22(21)30)24(26(29)32)33-20-8-5-4-6-9-20/h4-6,8-16,28,30H,2-3,7H2,1H3