methyl 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CCC2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CCC2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H28N2O3S/c1-3-4-5-6-17-29-21-14-7-18(8-15-21)9-16-22-25-26-23(30-22)19-10-12-20(13-11-19)24(27)28-2/h7-8,10-15H,3-6,9,16-17H2,1-2H3