N-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-3-nitro-benzamide CAS Name: N-[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(1-methyltetrazol-5-yl)thio]acetyl]-3-nitro-benzamide Formula: C11H10N6O4S MolecularWeight: 322.2999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N6O4S/c1-16-11(13-14-15-16)22-6-9(18)12-10(19)7-3-2-4-8(5-7)17(20)21/h2-5H,6H2,1H3,(H,12,18,19)