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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-[(1-methyltetrazol-5-yl)thio]acetamide Formula: C11H12N6O4S MolecularWeight: 324.31578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C11H12N6O4S/c1-16-11(13-14-15-16)22-6-10(19)12-5-7-4-8(17(20)21)2-3-9(7)18/h2-4,18H,5-6H2,1H3,(H,12,19)