tert-butyl 5-isothiocyanato-2,4-dimethyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-isothiocyanato-2,4-dimethyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-isothiocyanato-2,4-dimethyl-benzimidazole-1-carboxylate CAS Name: 5-isothiocyanato-2,4-dimethyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-isothiocyanato-2,4-dimethylbenzimidazole-1-carboxylate Traditional Name: 5-isothiocyanato-2,4-dimethyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(N2C(=O)OC(C)(C)C)C)N=C=S

Isomeric SMILES

CC1=C(C=CC2=C1N=C(N2C(=O)OC(C)(C)C)C)N=C=S

InChI

InChI=1S/C15H17N3O2S/c1-9-11(16-8-21)6-7-12-13(9)17-10(2)18(12)14(19)20-15(3,4)5/h6-7H,1-5H3