N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1-imidazolyl)acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3S/c1-9-3-4-11-12(6-17)16(25-13(11)5-9)19-14(22)8-20-10(2)18-7-15(20)21(23)24/h7,9H,3-5,8H2,1-2H3,(H,19,22)