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

Systemtic Name: benzotriazol-1-yl 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H21N5O3S/c1-2-3-16-32-20-14-12-18(13-15-20)24-28-27-23(34-24)17-8-10-19(11-9-17)25(31)33-30-22-7-5-4-6-21(22)26-29-30/h4-15H,2-3,16H2,1H3