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

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-p-phenetylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C29H21N5O3S MolecularWeight: 519.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H21N5O3S/c1-2-36-24-17-15-20(16-18-24)19-7-9-21(10-8-19)27-31-32-28(38-27)22-11-13-23(14-12-22)29(35)37-34-26-6-4-3-5-25(26)30-33-34/h3-18H,2H2,1H3