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

Systemtic Name: N-(2-chloranyl-4-nitro-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-chloro-4-nitro-phenyl)acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-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-chloro-4-nitro-phenyl)acetamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)SC=C2

InChI

InChI=1S/C17H13ClN4O4S2/c1-2-6-21-16(24)11-5-7-27-15(11)20-17(21)28-9-14(23)19-13-4-3-10(22(25)26)8-12(13)18/h2-5,7-8H,1,6,9H2,(H,19,23)