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

Systemtic Name: benzenesulfonate; 5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c][1,3]thiazol-4-ium-2-one Openeye Name: benzenesulfonate; 5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c]thiazol-4-ium-2-one CAS Name: benzenesulfonate; 5-(methylthio)-7-phenyl-1,3-dihydroimidazo[1,2-c]thiazol-4-ium-2-one IUPAC Name: benzenesulfonate; 5-methylsulfanyl-7-phenyl-1,3-dihydroimidazo[1,2-c][1,3]thiazol-4-ium-2-one Traditional Name: 5-(methylthio)-7-phenyl-1,3-dihydroimidazo[1,2-c]thiazol-4-ium-2-one besylate Formula: C18H16N2O4S3 MolecularWeight: 420.52564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+]2CC(=O)NC2=C(S1)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CSC1=[N+]2CC(=O)NC2=C(S1)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H10N2OS2.C6H6O3S/c1-16-12-14-7-9(15)13-11(14)10(17-12)8-5-3-2-4-6-8;7-10(8,9)6-4-2-1-3-5-6/h2-6H,7H2,1H3;1-5H,(H,7,8,9)