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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C17H13N3O3S2/c1-9-10(2)25-15-14(9)16(21)20(17(19-15)24-6-5-18)11-3-4-12-13(7-11)23-8-22-12/h3-4,7H,6,8H2,1-2H3