methyl 5-methyl-2-(phenylmethylsulfanyl)-1H-imidazole-4-carboxylate

Systemtic Name: methyl 5-methyl-2-(phenylmethylsulfanyl)-1H-imidazole-4-carboxylate Openeye Name: methyl 2-benzylsulfanyl-5-methyl-1H-imidazole-4-carboxylate CAS Name: 5-methyl-2-(phenylmethylthio)-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-5-methyl-1H-imidazole-4-carboxylate Traditional Name: 2-(benzylthio)-5-methyl-1H-imidazole-4-carboxylic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(N=C(N1)SCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C13H14N2O2S/c1-9-11(12(16)17-2)15-13(14-9)18-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)