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

Systemtic Name: phenyl 7-methylsulfanyl-3-(phenylmethyl)imidazo[1,2-a]pyridine-5-sulfonate Openeye Name: phenyl 3-benzyl-7-methylsulfanyl-imidazo[1,2-a]pyridine-5-sulfonate CAS Name: 7-(methylthio)-3-(phenylmethyl)-5-imidazo[1,2-a]pyridinesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-7-methylsulfanylimidazo[1,2-a]pyridine-5-sulfonate Traditional Name: 3-benzyl-7-(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=CC2=NC=C(N2C(=C1)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=NC=C(N2C(=C1)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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