methyl 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: methyl 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: methyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetate Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetic acid methyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=C1SCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)CN1C(=NN=C1SCC2=CC=CC=C2)N

InChI

InChI=1S/C12H14N4O2S/c1-18-10(17)7-16-11(13)14-15-12(16)19-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14)