O-(2-pyridin-4-ylethyl) N-(4-nitrophenyl)carbamothioate

Systemtic Name: O-(2-pyridin-4-ylethyl) N-(4-nitrophenyl)carbamothioate Openeye Name: O-[2-(4-pyridyl)ethyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-(2-pyridin-4-ylethyl) ester IUPAC Name: O-(2-pyridin-4-ylethyl) N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-[2-(4-pyridyl)ethyl] ester Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)OCCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)OCCC2=CC=NC=C2)[N+](=O)[O-]

InChI

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