2-chloranyl-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-6-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-6-fluoranyl-benzamide Openeye Name: 2-chloro-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-benzamide CAS Name: 2-chloro-N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-6-fluorobenzamide IUPAC Name: 2-chloro-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-6-fluorobenzamide Traditional Name: 2-chloro-N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-6-fluoro-benzamide Formula: C18H16ClFN4OS MolecularWeight: 390.862243

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

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