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

Systemtic Name: 2-[2-(cyanomethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylethanenitrile Openeye Name: 2-[2-(cyanomethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile CAS Name: 2-[[2-(cyanomethylthio)-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[2-(cyanomethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[2-(cyanomethylthio)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]thio]acetonitrile Formula: C12H10N4S3 MolecularWeight: 306.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)SCC#N)SCC#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)SCC#N)SCC#N)C

InChI

InChI=1S/C12H10N4S3/c1-7-8(2)19-11-9(7)10(17-5-3-13)15-12(16-11)18-6-4-14/h5-6H2,1-2H3