2-(4-methylphenyl)-5-phenyl-1H-imidazol-3-ium-4-thiol chloride hydrate

Systemtic Name: 2-(4-methylphenyl)-5-phenyl-1H-imidazol-3-ium-4-thiol chloride hydrate Openeye Name: 5-phenyl-2-(p-tolyl)-1H-imidazol-3-ium-4-thiol chloride hydrate CAS Name: 2-(4-methylphenyl)-5-phenyl-1H-imidazol-3-ium-4-thiol chloride hydrate IUPAC Name: 2-(4-methylphenyl)-5-phenyl-1H-imidazol-3-ium-4-thiol chloride hydrate Traditional Name: 5-phenyl-2-(p-tolyl)-1H-imidazol-3-ium-4-thiol chloride hydrate Formula: C16H17ClN2OS MolecularWeight: 320.83698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]C(=C(N2)C3=CC=CC=C3)S.O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]C(=C(N2)C3=CC=CC=C3)S.O.[Cl-]

InChI

InChI=1S/C16H14N2S.ClH.H2O/c1-11-7-9-13(10-8-11)15-17-14(16(19)18-15)12-5-3-2-4-6-12;;/h2-10,19H,1H3,(H,17,18);1H;1H2