methyl 6-chloranyl-5-isothiocyanato-2-propyl-benzimidazole-1-carboxylate

Systemtic Name: methyl 6-chloranyl-5-isothiocyanato-2-propyl-benzimidazole-1-carboxylate Openeye Name: methyl 6-chloro-5-isothiocyanato-2-propyl-benzimidazole-1-carboxylate CAS Name: 6-chloro-5-isothiocyanato-2-propyl-1-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-5-isothiocyanato-2-propylbenzimidazole-1-carboxylate Traditional Name: 6-chloro-5-isothiocyanato-2-propyl-benzimidazole-1-carboxylic acid methyl ester Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC(=C(C=C2N1C(=O)OC)Cl)N=C=S

Isomeric SMILES

CCCC1=NC2=CC(=C(C=C2N1C(=O)OC)Cl)N=C=S

InChI

InChI=1S/C13H12ClN3O2S/c1-3-4-12-16-10-6-9(15-7-20)8(14)5-11(10)17(12)13(18)19-2/h5-6H,3-4H2,1-2H3