2-[4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]acetic acid Formula: C16H13N3O2S2 MolecularWeight: 343.42332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(S2)SCC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(S2)SCC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C16H13N3O2S2/c20-14(21)8-11-3-5-12(6-4-11)10-22-16-19-18-15(23-16)13-2-1-7-17-9-13/h1-7,9H,8,10H2,(H,20,21)