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

Systemtic Name: 4-cyano-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-fluoro-benzamide CAS Name: 4-cyano-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-fluorobenzamide Traditional Name: 4-cyano-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-2-fluoro-benzamide Formula: C13H12FN5OS MolecularWeight: 305.330683

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)C#N)F)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)C#N)F)C

InChI

InChI=1S/C13H12FN5OS/c1-3-21-13-17-16-8(2)19(13)18-12(20)10-5-4-9(7-15)6-11(10)14/h4-6H,3H2,1-2H3,(H,18,20)