4-[3-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzenecarbonitrile Openeye Name: 4-[3-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzonitrile CAS Name: 4-[3-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propoxy]benzonitrile IUPAC Name: 4-[3-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzonitrile Traditional Name: 4-[3-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]propoxy]benzonitrile Formula: C17H15N3O2S2 MolecularWeight: 357.4499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCCOC3=CC=C(C=C3)C#N)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCCOC3=CC=C(C=C3)C#N)SC=C2

InChI

InChI=1S/C17H15N3O2S2/c1-20-16(21)14-7-10-23-15(14)19-17(20)24-9-2-8-22-13-5-3-12(11-18)4-6-13/h3-7,10H,2,8-9H2,1H3