(5-methylpyridin-2-yl)methyl carbamimidothioate dihydrochloride

Systemtic Name: (5-methylpyridin-2-yl)methyl carbamimidothioate dihydrochloride Openeye Name: 2-[(5-methyl-2-pyridyl)methyl]isothiourea dihydrochloride CAS Name: carbamimidothioic acid (5-methyl-2-pyridinyl)methyl ester dihydrochloride IUPAC Name: (5-methylpyridin-2-yl)methyl carbamimidothioate dihydrochloride Traditional Name: 2-[(5-methyl-2-pyridyl)methyl]isothiourea dihydrochloride Formula: C8H13Cl2N3S MolecularWeight: 254.17992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)CSC(=N)N.Cl.Cl

Isomeric SMILES

CC1=CN=C(C=C1)CSC(=N)N.Cl.Cl

InChI

InChI=1S/C8H11N3S.2ClH/c1-6-2-3-7(11-4-6)5-12-8(9)10;;/h2-4H,5H2,1H3,(H3,9,10);2*1H