(3-carbamimidoylsulfanyl-2-pyridin-2-yl-propyl) carbamimidothioate hydrate trihydrochloride

Systemtic Name: (3-carbamimidoylsulfanyl-2-pyridin-2-yl-propyl) carbamimidothioate hydrate trihydrochloride Openeye Name: 2-[3-carbamimidoylsulfanyl-2-(2-pyridyl)propyl]isothiourea hydrate trihydrochloride CAS Name: carbamimidothioic acid [3-(carbamimidoylthio)-2-(2-pyridinyl)propyl] ester hydrate trihydrochloride IUPAC Name: (3-carbamimidoylsulfanyl-2-pyridin-2-ylpropyl) carbamimidothioate hydrate trihydrochloride Traditional Name: 2-[3-(amidinothio)-2-(2-pyridyl)propyl]isothiourea hydrate trihydrochloride Formula: C10H20Cl3N5OS2 MolecularWeight: 396.7877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(CSC(=N)N)CSC(=N)N.O.Cl.Cl.Cl

Isomeric SMILES

C1=CC=NC(=C1)C(CSC(=N)N)CSC(=N)N.O.Cl.Cl.Cl

InChI

InChI=1S/C10H15N5S2.3ClH.H2O/c11-9(12)16-5-7(6-17-10(13)14)8-3-1-2-4-15-8;;;;/h1-4,7H,5-6H2,(H3,11,12)(H3,13,14);3*1H;1H2