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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitro-1-imidazolyl)acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3S/c1-11-21-9-17(24(26)27)23(11)10-16(25)22-18-14(8-20)13-6-5-12(19(2,3)4)7-15(13)28-18/h9,12H,5-7,10H2,1-4H3,(H,22,25)