1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione

Systemtic Name: 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione Openeye Name: 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione CAS Name: 1-(2-ethylphenyl)-3-[(4-methyl-2-pyrimidinyl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(2-ethylphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione Traditional Name: 1-(2-ethylphenyl)-3-[(4-methylpyrimidin-2-yl)thio]pyrrolidine-2,5-quinone Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=NC=CC(=N3)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=NC=CC(=N3)C

InChI

InChI=1S/C17H17N3O2S/c1-3-12-6-4-5-7-13(12)20-15(21)10-14(16(20)22)23-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3