benzenesulfonate; 3-methyl-5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c][1,3]thiazol-4-ium-2-one

Systemtic Name: benzenesulfonate; 3-methyl-5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c][1,3]thiazol-4-ium-2-one Openeye Name: benzenesulfonate; 3-methyl-5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c]thiazol-4-ium-2-one CAS Name: benzenesulfonate; 3-methyl-5-(methylthio)-7-phenyl-1,3-dihydroimidazo[1,2-c]thiazol-4-ium-2-one IUPAC Name: benzenesulfonate; 3-methyl-5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c][1,3]thiazol-4-ium-2-one Traditional Name: 3-methyl-5-(methylthio)-7-phenyl-1,3-dihydroimidazo[1,2-c]thiazol-4-ium-2-one besylate Formula: C19H18N2O4S3 MolecularWeight: 434.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(SC(=[N+]12)SC)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1C(=O)NC2=C(SC(=[N+]12)SC)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N2OS2.C6H6O3S/c1-8-12(16)14-11-10(9-6-4-3-5-7-9)18-13(17-2)15(8)11;7-10(8,9)6-4-2-1-3-5-6/h3-8H,1-2H3;1-5H,(H,7,8,9)