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

Systemtic Name: 4-cyano-2-fluoranyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-2-fluoro-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-cyano-2-fluorobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-4-cyano-2-fluoro-benzamide Formula: C18H14FN5OS MolecularWeight: 367.400063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)C#N)F)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)C#N)F)SCC3=CC=CC=C3

InChI

InChI=1S/C18H14FN5OS/c1-12-21-22-18(26-11-13-5-3-2-4-6-13)24(12)23-17(25)15-8-7-14(10-20)9-16(15)19/h2-9H,11H2,1H3,(H,23,25)