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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3S/c1-17(2,3)10-4-5-11-12(7-18)15(27-13(11)6-10)20-14(24)8-22-9-19-16(21-22)23(25)26/h9-10H,4-6,8H2,1-3H3,(H,20,24)