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2-(propylsulfanylmethyl)-3H-benzimidazole-5-carboxylate

2-(propylsulfanylmethyl)-3H-benzimidazole-5-carboxylate

Systemtic Name:2-(propylsulfanylmethyl)-3H-benzimidazole-5-carboxylate
Openeye Name:2-(propylsulfanylmethyl)-3H-benzimidazole-5-carboxylate
CAS Name:2-[(propylthio)methyl]-3H-benzimidazole-5-carboxylate
IUPAC Name:2-(propylsulfanylmethyl)-3H-benzimidazole-5-carboxylate
Traditional Name:2-[(propylthio)methyl]-3H-benzimidazole-5-carboxylate
Formula: C12H13N2O2S-
MolecularWeight: 249.30882
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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NC2=C(N1)C=C(C=C2)C(=O)[O-]


Isomeric SMILES

CCCSCC1=NC2=C(N1)C=C(C=C2)C(=O)[O-]


InChI

InChI=1S/C12H14N2O2S/c1-2-5-17-7-11-13-9-4-3-8(12(15)16)6-10(9)14-11/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16)/p-1


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