N-(2-nitrophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-nitrophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: N-(2-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C21H16N4O4S3 MolecularWeight: 484.57114

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])SC=C2C4=CC=CS4

InChI

InChI=1S/C21H16N4O4S3/c1-2-9-24-20(27)18-13(16-8-5-10-30-16)11-31-19(18)23-21(24)32-12-17(26)22-14-6-3-4-7-15(14)25(28)29/h2-8,10-11H,1,9,12H2,(H,22,26)