1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C30H31ClN2O2S MolecularWeight: 519.09734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)CCCC)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)CCCC)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H31ClN2O2S/c1-3-5-7-21-9-15-24(16-10-21)32-27-28(36-26-19-13-23(31)14-20-26)30(35)33(29(27)34)25-17-11-22(12-18-25)8-6-4-2/h9-20,32H,3-8H2,1-2H3