5-nitro-3-propan-2-yloxy-N-(2H-1,2,3,4-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-3-propan-2-yloxy-N-(2H-1,2,3,4-tetrazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-isopropoxy-5-nitro-N-(2H-tetrazol-5-yl)benzothiophene-2-carboxamide CAS Name: 5-nitro-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-isopropoxy-5-nitro-N-(2H-tetrazol-5-yl)benzothiophene-2-carboxamide Formula: C13H12N6O4S MolecularWeight: 348.33718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NNN=N3

Isomeric SMILES

CC(C)OC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NNN=N3

InChI

InChI=1S/C13H12N6O4S/c1-6(2)23-10-8-5-7(19(21)22)3-4-9(8)24-11(10)12(20)14-13-15-17-18-16-13/h3-6H,1-2H3,(H2,14,15,16,17,18,20)