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

Systemtic Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H20N2O3S/c1-2-15-29-21-13-11-17(12-14-21)16-3-5-18(6-4-16)22-25-26-23(30-22)19-7-9-20(10-8-19)24(27)28/h3-14H,2,15H2,1H3,(H,27,28)