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

Systemtic Name: methyl 2-[[5-azanyl-4-(cyanomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-amino-4-(cyanomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-amino-4-(cyanomethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-amino-4-(cyanomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-amino-4-(cyanomethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C7H9N5O2S MolecularWeight: 227.24366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC#N)N

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC#N)N

InChI

InChI=1S/C7H9N5O2S/c1-14-5(13)4-15-7-11-10-6(9)12(7)3-2-8/h3-4H2,1H3,(H2,9,10)