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

Systemtic Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide Formula: C18H19FN4OS2 MolecularWeight: 390.498063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CS3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C18H19FN4OS2/c1-2-3-10-26-18-22-21-16(12-20-17(24)15-5-4-11-25-15)23(18)14-8-6-13(19)7-9-14/h4-9,11H,2-3,10,12H2,1H3,(H,20,24)