1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-carboxylate

Systemtic Name: 1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-carboxylate Openeye Name: 1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-5-benzimidazolecarboxylate IUPAC Name: 1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]benzimidazole-5-carboxylate Formula: C17H14N5O2S- MolecularWeight: 352.39036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)[O-])N=C1CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)[O-])N=C1CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24)/p-1