2-[(3-ethyl-5,6-dimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(3-ethyl-5,6-dimethyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)thio]acetonitrile IUPAC Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-ethyl-4-keto-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)thio]acetonitrile Formula: C12H14N3OS2+ MolecularWeight: 280.38906

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N=C2C(C1=O)C(=C(S2)C)C)SCC#N

Isomeric SMILES

CC[N+]1=C(N=C2C(C1=O)C(=C(S2)C)C)SCC#N

InChI

InChI=1S/C12H14N3OS2/c1-4-15-11(16)9-7(2)8(3)18-10(9)14-12(15)17-6-5-13/h9H,4,6H2,1-3H3/q+1