(2-nitrophenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (2-nitrophenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(2-nitrophenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (2-nitrophenyl)methyl ester hydrochloride IUPAC Name: (2-nitrophenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(2-nitrobenzyl)isothiourea hydrochloride Formula: C8H10ClN3O2S MolecularWeight: 247.7019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C8H9N3O2S.ClH/c9-8(10)14-5-6-3-1-2-4-7(6)11(12)13;/h1-4H,5H2,(H3,9,10);1H