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

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-phenylpiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(4-phenyl-1-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-phenyl-1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(4-phenylpiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(4-phenylpiperidino)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C32H26N6O2S MolecularWeight: 558.65284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C32H26N6O2S/c39-32(40-38-29-9-5-4-8-28(29)33-36-38)26-12-10-24(11-13-26)30-34-35-31(41-30)25-14-16-27(17-15-25)37-20-18-23(19-21-37)22-6-2-1-3-7-22/h1-17,23H,18-21H2