methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-nitro-benzoate Openeye Name: methyl 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-nitro-benzoate CAS Name: 4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-nitrobenzoate Traditional Name: 4-[[(1-methyltetrazol-5-yl)thio]methyl]-2-nitro-benzoic acid methyl ester Formula: C11H11N5O4S MolecularWeight: 309.30114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4S/c1-15-11(12-13-14-15)21-6-7-3-4-8(10(17)20-2)9(5-7)16(18)19/h3-5H,6H2,1-2H3