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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H13ClF3N5O2S MolecularWeight: 479.86273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)Cl)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H13ClF3N5O2S/c1-10(30)26-12-5-6-15-16(8-12)32-19(27-15)28-18(31)14-9-25-29(17(14)20(22,23)24)13-4-2-3-11(21)7-13/h2-9H,1H3,(H,26,30)(H,27,28,31)