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

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(2,5-dimethylphenyl)-5-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(2,5-dimethylphenyl)-5-ethyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C19H19N3OS2/c1-5-14-13(4)25-17-16(14)18(23)22(19(21-17)24-9-8-20)15-10-11(2)6-7-12(15)3/h6-7,10H,5,9H2,1-4H3