O-(2-pyridin-2-ylethyl) N-(3-nitrophenyl)carbamothioate

Systemtic Name: O-(2-pyridin-2-ylethyl) N-(3-nitrophenyl)carbamothioate Openeye Name: O-[2-(2-pyridyl)ethyl] N-(3-nitrophenyl)carbamothioate CAS Name: N-(3-nitrophenyl)carbamothioic acid O-[2-(2-pyridinyl)ethyl] ester IUPAC Name: O-(2-pyridin-2-ylethyl) N-(3-nitrophenyl)carbamothioate Traditional Name: N-(3-nitrophenyl)thiocarbamic acid O-[2-(2-pyridyl)ethyl] ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCOC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CCOC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c18-17(19)13-6-3-5-12(10-13)16-14(21)20-9-7-11-4-1-2-8-15-11/h1-6,8,10H,7,9H2,(H,16,21)