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

Systemtic Name: benzotriazol-1-yl 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C28H27N5O3S MolecularWeight: 513.61068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H27N5O3S/c1-2-3-4-5-8-19-35-23-17-15-21(16-18-23)27-31-30-26(37-27)20-11-13-22(14-12-20)28(34)36-33-25-10-7-6-9-24(25)29-32-33/h6-7,9-18H,2-5,8,19H2,1H3