methyl 4-[[2-(phenylmethylsulfanyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-(phenylmethylsulfanyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoate Openeye Name: methyl 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]benzoate CAS Name: 4-[[2-(phenylmethylthio)-3-imidazo[4,5-c]pyridinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]benzoate Traditional Name: 4-[[2-(benzylthio)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid methyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C3=C(C=CN=C3)N=C2SCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C3=C(C=CN=C3)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-27-21(26)18-9-7-16(8-10-18)14-25-20-13-23-12-11-19(20)24-22(25)28-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3