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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H13F3N4OS MolecularWeight: 402.39293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N4OS/c1-11-7-8-14-15(9-11)28-18(24-14)25-17(27)13-10-23-26(16(13)19(20,21)22)12-5-3-2-4-6-12/h2-10H,1H3,(H,24,25,27)