2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C17H13F4N5OS MolecularWeight: 411.376633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C17H13F4N5OS/c18-12-6-4-10(5-7-12)15-24-25-16(26(15)22)28-9-14(27)23-13-3-1-2-11(8-13)17(19,20)21/h1-8H,9,22H2,(H,23,27)