N-(4-fluoranyl-3-nitro-phenyl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-(1-isopropyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(1-isopropyltetrazol-5-yl)thio]acetamide Formula: C12H13FN6O3S MolecularWeight: 340.333423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H13FN6O3S/c1-7(2)18-12(15-16-17-18)23-6-11(20)14-8-3-4-9(13)10(5-8)19(21)22/h3-5,7H,6H2,1-2H3,(H,14,20)