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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C19H16N4O2S3 MolecularWeight: 428.55094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3SCC#N)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3SCC#N)SC=C2

InChI

InChI=1S/C19H16N4O2S3/c1-2-9-23-18(25)13-7-10-27-17(13)22-19(23)28-12-16(24)21-14-5-3-4-6-15(14)26-11-8-20/h2-7,10H,1,9,11-12H2,(H,21,24)