3-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(1-propyl-2-benzimidazolyl)thio]methyl]benzoic acid IUPAC Name: 3-[(1-propylbenzimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1-propylbenzimidazol-2-yl)thio]methyl]benzoic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H18N2O2S/c1-2-10-20-16-9-4-3-8-15(16)19-18(20)23-12-13-6-5-7-14(11-13)17(21)22/h3-9,11H,2,10,12H2,1H3,(H,21,22)