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

Systemtic Name: 3-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]propionitrile Formula: C12H11N3OS2 MolecularWeight: 277.36524

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCC#N)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCC#N)SC=C2

InChI

InChI=1S/C12H11N3OS2/c1-2-6-15-11(16)9-4-8-17-10(9)14-12(15)18-7-3-5-13/h2,4,8H,1,3,6-7H2