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

Systemtic Name: 4-[5-[4-(4-phenoxybutoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(4-phenoxybutoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(4-phenoxybutoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(4-phenoxybutoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(4-phenoxybutoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H22N2O4S/c28-25(29)20-10-8-18(9-11-20)23-26-27-24(32-23)19-12-14-22(15-13-19)31-17-5-4-16-30-21-6-2-1-3-7-21/h1-3,6-15H,4-5,16-17H2,(H,28,29)