4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(3-phenoxypropoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H20N2O4S/c27-24(28)19-9-7-17(8-10-19)22-25-26-23(31-22)18-11-13-21(14-12-18)30-16-4-15-29-20-5-2-1-3-6-20/h1-3,5-14H,4,15-16H2,(H,27,28)