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

Systemtic Name: 3-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2

InChI

InChI=1S/C17H13N3OS2/c1-2-7-20-16(21)14-6-8-22-15(14)19-17(20)23-11-13-5-3-4-12(9-13)10-18/h2-6,8-9H,1,7,11H2