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

Systemtic Name: phenyl 7-methylsulfanyl-5-(phenylmethyl)imidazo[1,2-a]pyridine-3-sulfonate Openeye Name: phenyl 5-benzyl-7-methylsulfanyl-imidazo[1,2-a]pyridine-3-sulfonate CAS Name: 7-(methylthio)-5-(phenylmethyl)-3-imidazo[1,2-a]pyridinesulfonic acid phenyl ester IUPAC Name: phenyl 5-benzyl-7-methylsulfanylimidazo[1,2-a]pyridine-3-sulfonate Traditional Name: 5-benzyl-7-(methylthio)imidazo[1,2-a]pyridine-3-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)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=NC=C(N2C(=C1)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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