S-[1-(5-nitropyridin-2-yl)-4-phenyl-imidazol-2-yl] N,N-dimethylcarbamothioate

Systemtic Name: S-[1-(5-nitropyridin-2-yl)-4-phenyl-imidazol-2-yl] N,N-dimethylcarbamothioate Openeye Name: S-[1-(5-nitro-2-pyridyl)-4-phenyl-imidazol-2-yl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[[1-(5-nitro-2-pyridinyl)-4-phenyl-2-imidazolyl]] ester IUPAC Name: S-[1-(5-nitropyridin-2-yl)-4-phenylimidazol-2-yl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[1-(5-nitro-2-pyridyl)-4-phenyl-imidazol-2-yl] ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=NC(=CN1C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)SC1=NC(=CN1C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-20(2)17(23)26-16-19-14(12-6-4-3-5-7-12)11-21(16)15-9-8-13(10-18-15)22(24)25/h3-11H,1-2H3