3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(2-ethylphenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(2-ethylphenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-ethylanilino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-ethylanilino)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-ethylanilino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(2-ethylanilino)-3-pyrroline-2,5-quinone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C25H24N4O2S/c1-4-19-12-8-9-13-20(19)28-21-22(32-25-26-16(2)14-17(3)27-25)24(31)29(23(21)30)15-18-10-6-5-7-11-18/h5-14,28H,4,15H2,1-3H3