methyl 5-azanyl-3-methylsulfanyl-1,2,4-triazole-1-carboxylate

Systemtic Name: methyl 5-azanyl-3-methylsulfanyl-1,2,4-triazole-1-carboxylate Openeye Name: methyl 5-amino-3-methylsulfanyl-1,2,4-triazole-1-carboxylate CAS Name: 5-amino-3-(methylthio)-1,2,4-triazole-1-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-methylsulfanyl-1,2,4-triazole-1-carboxylate Traditional Name: 5-amino-3-(methylthio)-1,2,4-triazole-1-carboxylic acid methyl ester Formula: C5H8N4O2S MolecularWeight: 188.20762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=NC(=N1)SC)N

Isomeric SMILES

COC(=O)N1C(=NC(=N1)SC)N

InChI

InChI=1S/C5H8N4O2S/c1-11-5(10)9-3(6)7-4(8-9)12-2/h1-2H3,(H2,6,7,8)