[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]isothiourea CAS Name: carbamimidothioic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] carbamimidothioate Traditional Name: 2-[2-keto-2-(4-nitrophenyl)ethyl]isothiourea Formula: C9H9N3O3S MolecularWeight: 239.25106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O3S/c10-9(11)16-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4H,5H2,(H3,10,11)