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

Systemtic Name: O-methyl N-[[1-(3-fluoranyl-4-imidazol-1-yl-phenyl)-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-(3-fluoro-4-imidazol-1-yl-phenyl)triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[3-fluoro-4-(1-imidazolyl)phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-(3-fluoro-4-imidazol-1-ylphenyl)triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-(3-fluoro-4-imidazol-1-yl-phenyl)triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C14H13FN6OS MolecularWeight: 332.356023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN6OS/c1-22-14(23)17-7-10-8-21(19-18-10)11-2-3-13(12(15)6-11)20-5-4-16-9-20/h2-6,8-9H,7H2,1H3,(H,17,23)