N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(morpholinomethyl)-1,2,4-triazol-3-yl]thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide Formula: C22H20Cl2F3N5O2S MolecularWeight: 546.39271

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1COCCN1CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H20Cl2F3N5O2S/c23-15-2-4-16(5-3-15)32-19(12-31-7-9-34-10-8-31)29-30-21(32)35-13-20(33)28-18-11-14(22(25,26)27)1-6-17(18)24/h1-6,11H,7-10,12-13H2,(H,28,33)