S-(3-cyano-6-methyl-pyridin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(3-cyano-6-methyl-pyridin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(3-cyano-6-methyl-2-pyridyl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(3-cyano-6-methyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-methylpyridin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(3-cyano-6-methyl-2-pyridyl) ester Formula: C14H9N3O3S MolecularWeight: 299.30456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O3S/c1-9-5-6-11(8-15)13(16-9)21-14(18)10-3-2-4-12(7-10)17(19)20/h2-7H,1H3