5-[4-(5-nonyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid

Systemtic Name: 5-[4-(5-nonyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid Openeye Name: 5-[4-(5-nonyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid CAS Name: 5-[4-(5-nonyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid IUPAC Name: 5-[4-(5-nonyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid Traditional Name: 5-[4-(5-nonyl-1,3,4-thiadiazol-2-yl)phenoxy]valeric acid Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCC(=O)O

InChI

InChI=1S/C22H32N2O3S/c1-2-3-4-5-6-7-8-11-20-23-24-22(28-20)18-13-15-19(16-14-18)27-17-10-9-12-21(25)26/h13-16H,2-12,17H2,1H3,(H,25,26)