butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate

Systemtic Name: butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate Openeye Name: butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate CAS Name: 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylic acid butyl ester IUPAC Name: butyl 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylate Traditional Name: 6-isothiocyanato-2,7-dimethyl-3H-benzimidazole-5-carboxylic acid butyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C(=C1N=C=S)C)N=C(N2)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C(=C1N=C=S)C)N=C(N2)C

InChI

InChI=1S/C15H17N3O2S/c1-4-5-6-20-15(19)11-7-12-14(18-10(3)17-12)9(2)13(11)16-8-21/h7H,4-6H2,1-3H3,(H,17,18)