2-[(3-ethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(3-ethyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C20H19FN4O4S2 MolecularWeight: 462.517663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])SC4=C2CCCC4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])SC4=C2CCCC4

InChI

InChI=1S/C20H19FN4O4S2/c1-2-24-19(27)17-12-5-3-4-6-15(12)31-18(17)23-20(24)30-10-16(26)22-11-7-8-13(21)14(9-11)25(28)29/h7-9H,2-6,10H2,1H3,(H,22,26)