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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H21FN4OS/c1-2-3-12-27-20-24-23-18(25(20)17-10-5-4-6-11-17)14-22-19(26)15-8-7-9-16(21)13-15/h4-11,13H,2-3,12,14H2,1H3,(H,22,26)