N-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C18H16ClFN4OS MolecularWeight: 390.862243

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H16ClFN4OS/c1-2-26-18-23-22-16(24(18)13-7-5-6-12(19)10-13)11-21-17(25)14-8-3-4-9-15(14)20/h3-10H,2,11H2,1H3,(H,21,25)