ethyl 2-butyl-4-phenylsulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-butyl-4-phenylsulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-butyl-4-phenylsulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-butyl-4-(phenylthio)-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-4-phenylsulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-butyl-4-(phenylthio)-1H-imidazole-5-carboxylic acid ethyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)C(=O)OCC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=C(N1)C(=O)OCC)SC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S/c1-3-5-11-13-17-14(16(19)20-4-2)15(18-13)21-12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,17,18)