S-pyridin-2-yl 2-nitrobenzenecarbothioate

Systemtic Name: S-pyridin-2-yl 2-nitrobenzenecarbothioate Openeye Name: S-(2-pyridyl) 2-nitrobenzenecarbothioate CAS Name: 2-nitrobenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 2-nitrobenzenecarbothioate Traditional Name: 2-nitrothiobenzoic acid S-(2-pyridyl) ester Formula: C12H8N2O3S MolecularWeight: 260.26852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)SC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)SC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O3S/c15-12(18-11-7-3-4-8-13-11)9-5-1-2-6-10(9)14(16)17/h1-8H