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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H12N6O3S/c14-5-9-8-3-1-2-4-10(8)23-12(9)16-11(20)6-18-7-15-13(17-18)19(21)22/h7H,1-4,6H2,(H,16,20)