2-[2-(3-phenylpropylsulfanyl)benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-phenylpropylsulfanyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(3-phenylpropylsulfanyl)benzimidazol-1-yl]acetic acid CAS Name: 2-[2-(3-phenylpropylthio)-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(3-phenylpropylsulfanyl)benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(3-phenylpropylthio)benzimidazol-1-yl]acetic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C18H18N2O2S/c21-17(22)13-20-16-11-5-4-10-15(16)19-18(20)23-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,21,22)