3-[(3,5-dimethylphenyl)amino]-1-(phenylmethyl)-4-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]-1-(phenylmethyl)-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3,5-dimethylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,5-dimethylanilino)-1-(phenylmethyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3,5-dimethylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3,5-dimethylanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O2S/c1-17-13-18(2)15-20(14-17)26-22-23(30-21-11-7-4-8-12-21)25(29)27(24(22)28)16-19-9-5-3-6-10-19/h3-15,26H,16H2,1-2H3