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

Systemtic Name: N-(3-iodanylphenyl)-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-(3-iodophenyl)acetamide CAS Name: N-(3-iodophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-iodophenyl)-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-(3-iodophenyl)acetamide Formula: C17H14IN3O2S2 MolecularWeight: 483.34643

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)I)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)I)SC=C2

InChI

InChI=1S/C17H14IN3O2S2/c1-2-7-21-16(23)13-6-8-24-15(13)20-17(21)25-10-14(22)19-12-5-3-4-11(18)9-12/h2-6,8-9H,1,7,10H2,(H,19,22)