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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-iodophenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-iodoanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-iodoanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-iodoanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(4-iodoanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H23IN2O2S MolecularWeight: 554.44249

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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=CC=C(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C26H23IN2O2S/c1-2-3-7-18-10-16-21(17-11-18)29-25(30)23(28-20-14-12-19(27)13-15-20)24(26(29)31)32-22-8-5-4-6-9-22/h4-6,8-17,28H,2-3,7H2,1H3