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

Systemtic Name: 1-(4-butylphenyl)-3-[(5-chloranyl-2-oxidanyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxy-anilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxyanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(5-chloro-2-hydroxy-anilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H25ClN2O3S MolecularWeight: 493.017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O3S/c1-3-4-5-18-8-11-20(12-9-18)30-26(32)24(29-22-16-19(28)10-15-23(22)31)25(27(30)33)34-21-13-6-17(2)7-14-21/h6-16,29,31H,3-5H2,1-2H3