2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC#N)SC=C2C3=CC=CC=C3

InChI

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