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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=CC2=NC=C(N12)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC(=CC2=NC=C(N12)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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