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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-phenylazanyl-pyrrole-2,5-dione Openeye Name: 3-anilino-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-anilino-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-anilino-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-anilino-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2S/c1-2-3-7-18-10-14-21(15-11-18)29-25(30)23(28-20-8-5-4-6-9-20)24(26(29)31)32-22-16-12-19(27)13-17-22/h4-6,8-17,28H,2-3,7H2,1H3