2-(1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(1,2,3,4-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(tetrazol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-tetrazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(tetrazol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C10H9N4O2S- MolecularWeight: 249.26906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=NN=N3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=NN=N3)C(=O)[O-]

InChI

InChI=1S/C10H10N4O2S/c15-10(16)8-6-3-1-2-4-7(6)17-9(8)14-5-11-12-13-14/h5H,1-4H2,(H,15,16)/p-1