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

Systemtic Name: 2-cyano-4-fluoranyl-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzamide Openeye Name: 2-cyano-4-fluoro-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzamide CAS Name: 2-cyano-4-fluoro-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzamide IUPAC Name: 2-cyano-4-fluoro-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzamide Traditional Name: 2-cyano-4-fluoro-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzamide Formula: C18H14FN5OS MolecularWeight: 367.400063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)C#N

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)C#N

InChI

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