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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C16H11N3O3S2 MolecularWeight: 357.40684

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC#N

InChI

InChI=1S/C16H11N3O3S2/c17-4-6-24-16-18-11-3-5-23-14(11)15(20)19(16)8-10-1-2-12-13(7-10)22-9-21-12/h1-3,5,7H,6,8-9H2