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

Systemtic Name: tert-butyl 5-isothiocyanato-4-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-isothiocyanato-4-methyl-benzimidazole-1-carboxylate CAS Name: 5-isothiocyanato-4-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-isothiocyanato-4-methylbenzimidazole-1-carboxylate Traditional Name: 5-isothiocyanato-4-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=CN2C(=O)OC(C)(C)C)N=C=S

Isomeric SMILES

CC1=C(C=CC2=C1N=CN2C(=O)OC(C)(C)C)N=C=S

InChI

InChI=1S/C14H15N3O2S/c1-9-10(16-8-20)5-6-11-12(9)15-7-17(11)13(18)19-14(2,3)4/h5-7H,1-4H3