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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-methoxy-5-methyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-methoxy-5-methyl-anilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-methoxy-5-methylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-methoxy-5-methylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2-methoxy-5-methyl-anilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O3S MolecularWeight: 472.59852

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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=C(C=CC(=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-4-5-9-20-13-15-21(16-14-20)30-27(31)25(29-23-18-19(2)12-17-24(23)33-3)26(28(30)32)34-22-10-7-6-8-11-22/h6-8,10-18,29H,4-5,9H2,1-3H3