5-azanyl-1-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-(4-fluorophenyl)-N-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-fluorophenyl)-N-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C16H14FN5OS MolecularWeight: 343.378663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H14FN5OS/c1-24-13-4-2-3-11(9-13)19-16(23)14-15(18)22(21-20-14)12-7-5-10(17)6-8-12/h2-9H,18H2,1H3,(H,19,23)