2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(1-pyridin-4-ylethyl)benzamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(1-pyridin-4-ylethyl)benzamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[1-(4-pyridyl)ethyl]benzamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-(1-pyridin-4-ylethyl)benzamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(1-pyridin-4-ylethyl)benzamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-N-[1-(4-pyridyl)ethyl]benzamide Formula: C21H16F3N3O3S MolecularWeight: 447.43025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=O)C2=CC=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N3O3S/c1-13(14-8-10-25-11-9-14)26-20(28)16-4-2-3-5-18(16)31-19-7-6-15(21(22,23)24)12-17(19)27(29)30/h2-13H,1H3,(H,26,28)