1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(naphthalen-1-ylamino)pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(naphthalen-1-ylamino)pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(1-naphthylamino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(1-naphthalenylamino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(naphthalen-1-ylamino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(1-naphthylamino)-3-pyrroline-2,5-quinone Formula: C30H25ClN2O2S MolecularWeight: 513.0497

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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=CC5=CC=CC=C54

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H25ClN2O2S/c1-2-3-7-20-12-16-23(17-13-20)33-29(34)27(28(30(33)35)36-24-18-14-22(31)15-19-24)32-26-11-6-9-21-8-4-5-10-25(21)26/h4-6,8-19,32H,2-3,7H2,1H3