4-[5-(4-pentoxyphenyl)-3H-1,2,3-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-pentoxyphenyl)-3H-1,2,3-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-amoxyphenyl)-3H-thiadiazol-2-yl]benzoic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CNN(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CNN(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-2-3-4-13-25-18-11-7-15(8-12-18)19-14-21-22(26-19)17-9-5-16(6-10-17)20(23)24/h5-12,14,21H,2-4,13H2,1H3,(H,23,24)