2-chloranyl-5-nitro-N-[3-[6-thiomorpholin-4-yl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]benzenecarbothioamide

Systemtic Name: 2-chloranyl-5-nitro-N-[3-[6-thiomorpholin-4-yl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]benzenecarbothioamide Openeye Name: 2-chloro-5-nitro-N-[3-[[6-thiomorpholino-4-(trifluoromethyl)-2-pyridyl]oxy]propyl]benzenecarbothioamide CAS Name: 2-chloro-5-nitro-N-[3-[[6-thiomorpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]oxy]propyl]benzenecarbothioamide IUPAC Name: 2-chloro-5-nitro-N-[3-[6-thiomorpholin-4-yl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]benzenecarbothioamide Traditional Name: 2-chloro-5-nitro-N-[3-[[6-thiomorpholino-4-(trifluoromethyl)-2-pyridyl]oxy]propyl]thiobenzamide Formula: C20H20ClF3N4O3S2 MolecularWeight: 520.97601

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=CC(=C2)C(F)(F)F)OCCCNC(=S)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CSCCN1C2=NC(=CC(=C2)C(F)(F)F)OCCCNC(=S)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClF3N4O3S2/c21-16-3-2-14(28(29)30)12-15(16)19(32)25-4-1-7-31-18-11-13(20(22,23)24)10-17(26-18)27-5-8-33-9-6-27/h2-3,10-12H,1,4-9H2,(H,25,32)