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

Systemtic Name: 1-(4-butylphenyl)-3-[(3,4-dichlorophenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3,4-dichloroanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3,4-dichloroanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3,4-dichloroanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3,4-dichloroanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H22Cl2N2O2S MolecularWeight: 497.43608

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H22Cl2N2O2S/c1-2-3-7-17-10-13-19(14-11-17)30-25(31)23(29-18-12-15-21(27)22(28)16-18)24(26(30)32)33-20-8-5-4-6-9-20/h4-6,8-16,29H,2-3,7H2,1H3