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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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