2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC#N)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC#N)SC(=C2C)C

InChI

InChI=1S/C12H13N3OS2/c1-4-15-11(16)9-7(2)8(3)18-10(9)14-12(15)17-6-5-13/h4,6H2,1-3H3