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

Systemtic Name: 4-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C13H13N3OS2 MolecularWeight: 291.39182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCC#N)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCC#N)SC=C2

InChI

InChI=1S/C13H13N3OS2/c1-2-7-16-12(17)10-5-9-18-11(10)15-13(16)19-8-4-3-6-14/h2,5,9H,1,3-4,7-8H2