3-(2-methyl-4-nitro-imidazol-1-yl)propyl carbamimidothioate hydrochloride

Systemtic Name: 3-(2-methyl-4-nitro-imidazol-1-yl)propyl carbamimidothioate hydrochloride Openeye Name: 2-[3-(2-methyl-4-nitro-imidazol-1-yl)propyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid 3-(2-methyl-4-nitro-1-imidazolyl)propyl ester hydrochloride IUPAC Name: 3-(2-methyl-4-nitroimidazol-1-yl)propyl carbamimidothioate hydrochloride Traditional Name: 2-[3-(2-methyl-4-nitro-imidazol-1-yl)propyl]isothiourea hydrochloride Formula: C8H14ClN5O2S MolecularWeight: 279.74706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCCSC(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=NC(=CN1CCCSC(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C8H13N5O2S.ClH/c1-6-11-7(13(14)15)5-12(6)3-2-4-16-8(9)10;/h5H,2-4H2,1H3,(H3,9,10);1H