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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[ethyl(phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(N-ethylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-(N-ethylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(N-ethylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(N-ethylanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)SC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O2S/c1-3-27(18-10-6-4-7-11-18)22-23(31-20-12-8-5-9-13-20)25(30)28(24(22)29)19-15-14-17(2)21(26)16-19/h4-16H,3H2,1-2H3