S-(1-methylimidazol-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(1-methylimidazol-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(1-methylimidazol-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(1-methyl-2-imidazolyl) ester IUPAC Name: S-(1-methylimidazol-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(1-methylimidazol-2-yl) ester Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O3S/c1-13-6-5-12-11(13)18-10(15)8-3-2-4-9(7-8)14(16)17/h2-7H,1H3