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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-iodanyl-2-methyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-iodo-2-methyl-anilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-iodo-2-methylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-iodo-2-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(4-iodo-2-methyl-anilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H27IN2O2S MolecularWeight: 582.49565

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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)C)NC4=C(C=C(C=C4)I)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27IN2O2S/c1-4-5-6-20-9-12-22(13-10-20)31-27(32)25(30-24-16-11-21(29)17-19(24)3)26(28(31)33)34-23-14-7-18(2)8-15-23/h7-17,30H,4-6H2,1-3H3