2-[3-(1,3-benzodioxol-5-yl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-5-ethyl-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-5-ethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-5-ethyl-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-5-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-5-ethyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H15N3O3S2/c1-3-12-10(2)26-16-15(12)17(22)21(18(20-16)25-7-6-19)11-4-5-13-14(8-11)24-9-23-13/h4-5,8H,3,7,9H2,1-2H3