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

Systemtic Name: benzotriazol-1-yl 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H25N5O2S/c1-2-3-4-5-8-19-11-13-20(14-12-19)25-29-30-26(35-25)21-15-17-22(18-16-21)27(33)34-32-24-10-7-6-9-23(24)28-31-32/h6-7,9-18H,2-5,8H2,1H3