N-(cyanomethyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S2/c1-2-10-23-18(25)15-8-12-26-17(15)21-19(23)27-13-16(24)22(11-9-20)14-6-4-3-5-7-14/h2-8,12H,1,10-11,13H2