1,3-benzothiazol-2-ylmethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H15F3N4O2S MolecularWeight: 480.46171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H15F3N4O2S/c25-24(26,27)16-9-6-10-17(13-16)31-22(15-7-2-1-3-8-15)29-21(30-31)23(32)33-14-20-28-18-11-4-5-12-19(18)34-20/h1-13H,14H2