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

Systemtic Name: 2-phenoxyethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 2-phenoxyethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid 2-phenoxyethyl ester Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O5S/c1-21-17(18-19-20-21)28-15-8-7-12(22(24)25)11-14(15)16(23)27-10-9-26-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3