O-methyl N-[[1-(3-fluoranyl-4-pyrrol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[1-(3-fluoranyl-4-pyrrol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-(3-fluoro-4-pyrrol-1-yl-phenyl)triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[3-fluoro-4-(1-pyrrolyl)phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-(3-fluoro-4-pyrrol-1-ylphenyl)triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-(3-fluoro-4-pyrrol-1-yl-phenyl)triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C15H14FN5OS MolecularWeight: 331.367963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3C=CC=C3)F

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3C=CC=C3)F

InChI

InChI=1S/C15H14FN5OS/c1-22-15(23)17-9-11-10-21(19-18-11)12-4-5-14(13(16)8-12)20-6-2-3-7-20/h2-8,10H,9H2,1H3,(H,17,23)