methyl 4-[[5-(methylamino)-4-methylsulfanyl-1H-imidazol-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(methylamino)-4-methylsulfanyl-1H-imidazol-2-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(methylamino)-4-methylsulfanyl-1H-imidazol-2-yl]methyl]benzoate CAS Name: 4-[[5-(methylamino)-4-(methylthio)-1H-imidazol-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(methylamino)-4-methylsulfanyl-1H-imidazol-2-yl]methyl]benzoate Traditional Name: 4-[[5-(methylamino)-4-(methylthio)-1H-imidazol-2-yl]methyl]benzoic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(N=C(N1)CC2=CC=C(C=C2)C(=O)OC)SC

Isomeric SMILES

CNC1=C(N=C(N1)CC2=CC=C(C=C2)C(=O)OC)SC

InChI

InChI=1S/C14H17N3O2S/c1-15-12-13(20-3)17-11(16-12)8-9-4-6-10(7-5-9)14(18)19-2/h4-7,15H,8H2,1-3H3,(H,16,17)