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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S2/c1-13-11-15(25(28)29)7-8-17(13)22-18(26)12-31-21-23-19-16(9-10-30-19)20(27)24(21)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,26)