N-(4-tert-butylphenyl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetamide Formula: C18H18ClF3N2OS MolecularWeight: 402.86153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N2OS/c1-17(2,3)11-4-6-13(7-5-11)24-15(25)10-26-16-14(19)8-12(9-23-16)18(20,21)22/h4-9H,10H2,1-3H3,(H,24,25)