methyl 2-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbonyl]benzoate

Systemtic Name: methyl 2-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbonyl]benzoate Openeye Name: methyl 2-(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbonyl)benzoate CAS Name: 2-[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbonyl)benzoate Traditional Name: 2-[5-amino-3-(methylthio)-1,2,4-triazole-1-carbonyl]benzoic acid methyl ester Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2C(=NC(=N2)SC)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2C(=NC(=N2)SC)N

InChI

InChI=1S/C12H12N4O3S/c1-19-10(18)8-6-4-3-5-7(8)9(17)16-11(13)14-12(15-16)20-2/h3-6H,1-2H3,(H2,13,14,15)