tert-butyl 7-fluoranyl-5-isothiocyanato-4-methyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 7-fluoranyl-5-isothiocyanato-4-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 7-fluoro-5-isothiocyanato-4-methyl-benzimidazole-1-carboxylate CAS Name: 7-fluoro-5-isothiocyanato-4-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-fluoro-5-isothiocyanato-4-methylbenzimidazole-1-carboxylate Traditional Name: 7-fluoro-5-isothiocyanato-4-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C14H14FN3O2S MolecularWeight: 307.343263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1N=C=S)F)N(C=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1N=C=S)F)N(C=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H14FN3O2S/c1-8-10(17-7-21)5-9(15)12-11(8)16-6-18(12)13(19)20-14(2,3)4/h5-6H,1-4H3