(1-methylimidazol-2-yl)sulfanylmethyl quinoline-3-carboxylate hydrate hydrochloride

Systemtic Name: (1-methylimidazol-2-yl)sulfanylmethyl quinoline-3-carboxylate hydrate hydrochloride Openeye Name: (1-methylimidazol-2-yl)sulfanylmethyl quinoline-3-carboxylate hydrate hydrochloride CAS Name: 3-quinolinecarboxylic acid [(1-methyl-2-imidazolyl)thio]methyl ester hydrate hydrochloride IUPAC Name: (1-methylimidazol-2-yl)sulfanylmethyl quinoline-3-carboxylate hydrate hydrochloride Traditional Name: quinoline-3-carboxylic acid [(1-methylimidazol-2-yl)thio]methyl ester hydrate hydrochloride Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCOC(=O)C2=CC3=CC=CC=C3N=C2.O.Cl

Isomeric SMILES

CN1C=CN=C1SCOC(=O)C2=CC3=CC=CC=C3N=C2.O.Cl

InChI

InChI=1S/C15H13N3O2S.ClH.H2O/c1-18-7-6-16-15(18)21-10-20-14(19)12-8-11-4-2-3-5-13(11)17-9-12;;/h2-9H,10H2,1H3;1H;1H2