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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=C(C=C(C=C4)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=C(C=C(C=C4)Cl)C

InChI

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