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

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-ethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-ethyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-ethyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3OS2/c1-2-19-15(20)13-12(11-6-4-3-5-7-11)10-22-14(13)18-16(19)21-9-8-17/h3-7,10H,2,9H2,1H3