N-(2-cyano-4-nitro-phenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C17H13N5O3S2 MolecularWeight: 399.44682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H13N5O3S2/c1-9-10(2)27-17-15(9)16(19-8-20-17)26-7-14(23)21-13-4-3-12(22(24)25)5-11(13)6-18/h3-5,8H,7H2,1-2H3,(H,21,23)