S-methyl N-[[2-(3-methoxy-1-methyl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]methoxy]carbamothioate

Systemtic Name: S-methyl N-[[2-(3-methoxy-1-methyl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]methoxy]carbamothioate Openeye Name: S-methyl N-[[2-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]methoxy]carbamothioate CAS Name: N-[[2-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]methoxy]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[[2-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]methoxy]carbamothioate Traditional Name: N-[2-(5-keto-3-methoxy-1-methyl-1,2,4-triazol-4-yl)benzyl]oxythiocarbamic acid S-methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=N1)OC)C2=CC=CC=C2CONC(=O)SC

Isomeric SMILES

CN1C(=O)N(C(=N1)OC)C2=CC=CC=C2CONC(=O)SC

InChI

InChI=1S/C13H16N4O4S/c1-16-13(19)17(11(14-16)20-2)10-7-5-4-6-9(10)8-21-15-12(18)22-3/h4-7H,8H2,1-3H3,(H,15,18)