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

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chloranyl-4-methyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3-chloro-4-methyl-anilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3-chloro-4-methylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3-chloro-4-methylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3-chloro-4-methyl-anilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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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=CC(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O2S/c1-3-4-8-19-12-15-21(16-13-19)30-26(31)24(29-20-14-11-18(2)23(28)17-20)25(27(30)32)33-22-9-6-5-7-10-22/h5-7,9-17,29H,3-4,8H2,1-2H3