benzotriazol-1-yl 4-[5-[1-(4-piperidin-1-ylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[5-[1-(4-piperidin-1-ylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[1-[4-(1-piperidyl)phenyl]pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[1-[4-(1-piperidinyl)phenyl]-4-pyrazolyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[1-(4-piperidin-1-ylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[1-(4-piperidinophenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C29H24N8O2S MolecularWeight: 548.61826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C29H24N8O2S/c38-29(39-37-26-7-3-2-6-25(26)31-34-37)21-10-8-20(9-11-21)27-32-33-28(40-27)22-18-30-36(19-22)24-14-12-23(13-15-24)35-16-4-1-5-17-35/h2-3,6-15,18-19H,1,4-5,16-17H2