1-(4-methylphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H15F3N4OS2 MolecularWeight: 448.48451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC)C(F)(F)F

InChI

InChI=1S/C20H15F3N4OS2/c1-11-3-6-13(7-4-11)27-17(20(21,22)23)14(10-24-27)18(28)25-12-5-8-15-16(9-12)30-19(26-15)29-2/h3-10H,1-2H3,(H,25,28)