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

Systemtic Name: cyclohexylmethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: cyclohexylmethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid cyclohexylmethyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3CCCCC3

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3CCCCC3

InChI

InChI=1S/C16H19N5O4S/c1-20-16(17-18-19-20)26-14-8-7-12(21(23)24)9-13(14)15(22)25-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3