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

Systemtic Name: benzotriazol-1-yl 4-[5-[1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[1-(p-tolyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[1-(4-methylphenyl)-4-pyrazolyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[1-(p-tolyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C25H17N7O2S MolecularWeight: 479.51318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H17N7O2S/c1-16-6-12-20(13-7-16)31-15-19(14-26-31)24-29-28-23(35-24)17-8-10-18(11-9-17)25(33)34-32-22-5-3-2-4-21(22)27-30-32/h2-15H,1H3