butyl 4-fluoranyl-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate

Systemtic Name: butyl 4-fluoranyl-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate Openeye Name: butyl 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate CAS Name: 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylic acid butyl ester IUPAC Name: butyl 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylate Traditional Name: 4-fluoro-6-isothiocyanato-7-methyl-1H-benzimidazole-2-carboxylic acid butyl ester Formula: C14H14FN3O2S MolecularWeight: 307.343263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC2=C(C=C(C(=C2N1)C)N=C=S)F

Isomeric SMILES

CCCCOC(=O)C1=NC2=C(C=C(C(=C2N1)C)N=C=S)F

InChI

InChI=1S/C14H14FN3O2S/c1-3-4-5-20-14(19)13-17-11-8(2)10(16-7-21)6-9(15)12(11)18-13/h6H,3-5H2,1-2H3,(H,17,18)