1-methyl-2-(2-nitrophenyl)sulfanyl-imidazole dihydrate hydrochloride

Systemtic Name: 1-methyl-2-(2-nitrophenyl)sulfanyl-imidazole dihydrate hydrochloride Openeye Name: 1-methyl-2-(2-nitrophenyl)sulfanyl-imidazole dihydrate hydrochloride CAS Name: 1-methyl-2-[(2-nitrophenyl)thio]imidazole dihydrate hydrochloride IUPAC Name: 1-methyl-2-(2-nitrophenyl)sulfanylimidazole dihydrate hydrochloride Traditional Name: 1-methyl-2-[(2-nitrophenyl)thio]imidazole dihydrate hydrochloride Formula: C10H14ClN3O4S MolecularWeight: 307.75386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=CC=C2[N+](=O)[O-].O.O.Cl

Isomeric SMILES

CN1C=CN=C1SC2=CC=CC=C2[N+](=O)[O-].O.O.Cl

InChI

InChI=1S/C10H9N3O2S.ClH.2H2O/c1-12-7-6-11-10(12)16-9-5-3-2-4-8(9)13(14)15;;;/h2-7H,1H3;1H;2*1H2