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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O3S/c1-8-2-3-9-10(5-15)13(24-11(9)4-8)17-12(21)6-19-7-16-14(18-19)20(22)23/h7-8H,2-4,6H2,1H3,(H,17,21)