N-[4-cyano-2-ethylsulfanyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide

Systemtic Name: N-[4-cyano-2-ethylsulfanyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide Openeye Name: N-[4-cyano-2-ethylsulfanyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide CAS Name: N-[4-cyano-2-(ethylthio)-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide IUPAC Name: N-[4-cyano-2-ethylsulfanyl-5-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-1,4-dihydropyrazole-5-carboxamide Traditional Name: N-[4-cyano-2-(ethylthio)-5-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-2-pyrazoline-3-carboxamide Formula: C16H14F6N4OS MolecularWeight: 424.363979

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C(=C1)C#N)C(F)(F)F)NC(=O)C2(CC(=NN2)C(F)(F)F)C

Isomeric SMILES

CCSC1=C(C=C(C(=C1)C#N)C(F)(F)F)NC(=O)C2(CC(=NN2)C(F)(F)F)C

InChI

InChI=1S/C16H14F6N4OS/c1-3-28-11-4-8(7-23)9(15(17,18)19)5-10(11)24-13(27)14(2)6-12(25-26-14)16(20,21)22/h4-5,26H,3,6H2,1-2H3,(H,24,27)