ethyl 2-butyl-4-(phenylmethylsulfanyl)-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-butyl-4-(phenylmethylsulfanyl)-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-benzylsulfanyl-2-butyl-1H-imidazole-5-carboxylate CAS Name: 2-butyl-4-(phenylmethylthio)-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-2-butyl-1H-imidazole-5-carboxylate Traditional Name: 4-(benzylthio)-2-butyl-1H-imidazole-5-carboxylic acid ethyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C(=O)OCC)SCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=C(N1)C(=O)OCC)SCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-3-5-11-14-18-15(17(20)21-4-2)16(19-14)22-12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3,(H,18,19)