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

Systemtic Name: benzotriazol-1-yl 4-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H15N5O3S/c1-29-17-12-10-15(11-13-17)21-25-24-20(31-21)14-6-8-16(9-7-14)22(28)30-27-19-5-3-2-4-18(19)23-26-27/h2-13H,1H3