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

Systemtic Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C20H20F2N4OS MolecularWeight: 402.460806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F2N4OS/c1-2-3-11-28-20-25-24-18(26(20)17-9-7-15(21)8-10-17)13-23-19(27)14-5-4-6-16(22)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,23,27)