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2-(1H-benzimidazol-2-ylsulfanylmethyl)quinoline-3-carboxylic acid

2-(1H-benzimidazol-2-ylsulfanylmethyl)quinoline-3-carboxylic acid

Systemtic Name:2-(1H-benzimidazol-2-ylsulfanylmethyl)quinoline-3-carboxylic acid
Openeye Name:2-(1H-benzimidazol-2-ylsulfanylmethyl)quinoline-3-carboxylic acid
CAS Name:2-[(1H-benzimidazol-2-ylthio)methyl]-3-quinolinecarboxylic acid
IUPAC Name:2-(1H-benzimidazol-2-ylsulfanylmethyl)quinoline-3-carboxylic acid
Traditional Name:2-[(1H-benzimidazol-2-ylthio)methyl]quinoline-3-carboxylic acid
Formula: C18H13N3O2S
MolecularWeight: 335.37972
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC4=CC=CC=C4N3)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC4=CC=CC=C4N3)C(=O)O


InChI

InChI=1S/C18H13N3O2S/c22-17(23)12-9-11-5-1-2-6-13(11)19-16(12)10-24-18-20-14-7-3-4-8-15(14)21-18/h1-9H,10H2,(H,20,21)(H,22,23)


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