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

Systemtic Name: 4-[3-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzenecarbonitrile Openeye Name: 4-[3-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzonitrile CAS Name: 4-[3-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propoxy]benzonitrile IUPAC Name: 4-[3-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropoxy]benzonitrile Traditional Name: 4-[3-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]propoxy]benzonitrile Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCOC3=CC=C(C=C3)C#N)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCOC3=CC=C(C=C3)C#N)SC=C2

InChI

InChI=1S/C19H17N3O2S2/c1-2-9-22-18(23)16-8-12-25-17(16)21-19(22)26-11-3-10-24-15-6-4-14(13-20)5-7-15/h2,4-8,12H,1,3,9-11H2