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

Systemtic Name: methyl 2-[(5-azanyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-amino-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-4-ethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-amino-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-4-ethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)N

InChI

InChI=1S/C7H12N4O2S/c1-3-11-6(8)9-10-7(11)14-4-5(12)13-2/h3-4H2,1-2H3,(H2,8,9)