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

Systemtic Name: methyl 4-[(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: methyl 4-[(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]methyl]benzoic acid methyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=NN=C2SC)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=NN=C2SC)N

InChI

InChI=1S/C12H14N4O2S/c1-18-10(17)9-5-3-8(4-6-9)7-16-11(13)14-15-12(16)19-2/h3-6H,7H2,1-2H3,(H2,13,14)