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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-methylphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-methylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(4-methylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-methylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(phenylthio)-4-(p-toluidino)-3-pyrroline-2,5-quinone Formula: C27H26N2O2S MolecularWeight: 442.57254

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2S/c1-3-4-8-20-13-17-22(18-14-20)29-26(30)24(28-21-15-11-19(2)12-16-21)25(27(29)31)32-23-9-6-5-7-10-23/h5-7,9-18,28H,3-4,8H2,1-2H3