methyl 4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)benzoate CAS Name: 4-[(3-imidazo[1,5-a]pyridinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)benzoate Traditional Name: 4-[(imidazo[1,5-a]pyridin-3-ylthio)methyl]benzoic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C3N2C=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C3N2C=CC=C3

InChI

InChI=1S/C16H14N2O2S/c1-20-15(19)13-7-5-12(6-8-13)11-21-16-17-10-14-4-2-3-9-18(14)16/h2-10H,11H2,1H3