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

Systemtic Name: benzotriazol-1-yl 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 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 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 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 benzotriazol-1-yl ester Formula: C29H29N5O3S MolecularWeight: 527.63726

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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)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CCC2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H29N5O3S/c1-2-3-4-7-20-36-24-17-10-21(11-18-24)12-19-27-31-32-28(38-27)22-13-15-23(16-14-22)29(35)37-34-26-9-6-5-8-25(26)30-33-34/h5-6,8-11,13-18H,2-4,7,12,19-20H2,1H3