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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(2-methoxyphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-methoxyanilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(2-methoxyanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-methoxyanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(o-anisidino)-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=CC=CC=C4OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H25ClN2O3S/c1-3-4-7-18-10-14-20(15-11-18)30-26(31)24(29-22-8-5-6-9-23(22)33-2)25(27(30)32)34-21-16-12-19(28)13-17-21/h5-6,8-17,29H,3-4,7H2,1-2H3