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

Systemtic Name: N-[3-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluoro-benzamide CAS Name: N-[3-[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide Traditional Name: N-[3-[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluoro-benzamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCSC1=NN=C(N1C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4OS/c1-3-4-12-27-20-24-23-18(25(20)2)14-8-7-9-15(13-14)22-19(26)16-10-5-6-11-17(16)21/h5-11,13H,3-4,12H2,1-2H3,(H,22,26)