4-(2-imidazol-1-yl-1-pyridin-3-yl-ethyl)sulfanylbenzoic acid

Systemtic Name: 4-(2-imidazol-1-yl-1-pyridin-3-yl-ethyl)sulfanylbenzoic acid Openeye Name: 4-[2-imidazol-1-yl-1-(3-pyridyl)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(1-imidazolyl)-1-(3-pyridinyl)ethyl]thio]benzoic acid IUPAC Name: 4-(2-imidazol-1-yl-1-pyridin-3-ylethyl)sulfanylbenzoic acid Traditional Name: 4-[[2-imidazol-1-yl-1-(3-pyridyl)ethyl]thio]benzoic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O2S/c21-17(22)13-3-5-15(6-4-13)23-16(11-20-9-8-19-12-20)14-2-1-7-18-10-14/h1-10,12,16H,11H2,(H,21,22)