N-(4-chloranyl-3-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C19H13ClN4O4S3 MolecularWeight: 492.97892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC=C2C4=CC=CS4

InChI

InChI=1S/C19H13ClN4O4S3/c1-23-18(26)16-11(14-3-2-6-29-14)8-30-17(16)22-19(23)31-9-15(25)21-10-4-5-12(20)13(7-10)24(27)28/h2-8H,9H2,1H3,(H,21,25)