S-(4-nitro-2-pyridin-2-yl-phenyl) N,N-dimethylcarbamothioate

Systemtic Name: S-(4-nitro-2-pyridin-2-yl-phenyl) N,N-dimethylcarbamothioate Openeye Name: S-[4-nitro-2-(2-pyridyl)phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[4-nitro-2-(2-pyridinyl)phenyl] ester IUPAC Name: S-(4-nitro-2-pyridin-2-ylphenyl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[4-nitro-2-(2-pyridyl)phenyl] ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=N2

Isomeric SMILES

CN(C)C(=O)SC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=N2

InChI

InChI=1S/C14H13N3O3S/c1-16(2)14(18)21-13-7-6-10(17(19)20)9-11(13)12-5-3-4-8-15-12/h3-9H,1-2H3