S-(1-methyl-1,2,3,4-tetrazol-5-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(1-methyl-1,2,3,4-tetrazol-5-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(1-methyltetrazol-5-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(1-methyl-5-tetrazolyl) ester IUPAC Name: S-(1-methyltetrazol-5-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(1-methyltetrazol-5-yl) ester Formula: C9H7N5O3S MolecularWeight: 265.24858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N5O3S/c1-13-9(10-11-12-13)18-8(15)6-3-2-4-7(5-6)14(16)17/h2-5H,1H3