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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=CC=CC=C5C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=CS4)N=C3SCC5=CC=CC=C5C#N

InChI

InChI=1S/C22H15N3O3S2/c23-10-15-3-1-2-4-16(15)12-30-22-24-17-7-8-29-20(17)21(26)25(22)11-14-5-6-18-19(9-14)28-13-27-18/h1-9H,11-13H2