phenyl 3-methylsulfanyl-7-(phenylmethyl)imidazo[1,2-a]pyridine-5-sulfonate

Systemtic Name: phenyl 3-methylsulfanyl-7-(phenylmethyl)imidazo[1,2-a]pyridine-5-sulfonate Openeye Name: phenyl 7-benzyl-3-methylsulfanyl-imidazo[1,2-a]pyridine-5-sulfonate CAS Name: 3-(methylthio)-7-(phenylmethyl)-5-imidazo[1,2-a]pyridinesulfonic acid phenyl ester IUPAC Name: phenyl 7-benzyl-3-methylsulfanylimidazo[1,2-a]pyridine-5-sulfonate Traditional Name: 7-benzyl-3-(methylthio)imidazo[1,2-a]pyridine-5-sulfonic acid phenyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C2N1C(=CC(=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CN=C2N1C(=CC(=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S2/c1-27-20-15-22-19-13-17(12-16-8-4-2-5-9-16)14-21(23(19)20)28(24,25)26-18-10-6-3-7-11-18/h2-11,13-15H,12H2,1H3