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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-hydroxy-5-methyl-anilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(2-hydroxy-5-methylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-hydroxy-5-methylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(2-hydroxy-5-methyl-anilino)-3-pyrroline-2,5-quinone Formula: C27H25ClN2O3S MolecularWeight: 493.017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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