2-ethanimidoyl-4-[5-(4-fluorophenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[5-(4-fluorophenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[5-(4-fluorophenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[5-(4-fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[5-(4-fluorophenyl)-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[5-(4-fluorophenyl)-4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]-3-keto-butyronitrile Formula: C19H15FN4O2S2 MolecularWeight: 414.476403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C

InChI

InChI=1S/C19H15FN4O2S2/c1-10(22)13(7-21)15(25)9-28-19-23-17-16(18(26)24(19)2)14(8-27-17)11-3-5-12(20)6-4-11/h3-6,8,13,22H,9H2,1-2H3