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

Systemtic Name: benzotriazol-1-yl 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-pentylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-amylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H23N5O2S/c1-2-3-4-7-18-10-12-19(13-11-18)24-28-29-25(34-24)20-14-16-21(17-15-20)26(32)33-31-23-9-6-5-8-22(23)27-30-31/h5-6,8-17H,2-4,7H2,1H3