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

Systemtic Name: ethyl 2-[[5-azanyl-4-(2-azanyl-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-amino-4-(2-amino-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-amino-4-(2-amino-2-oxoethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-4-(2-amino-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-amino-4-(2-amino-2-keto-ethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C8H13N5O3S MolecularWeight: 259.28552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC(=O)N)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC(=O)N)N

InChI

InChI=1S/C8H13N5O3S/c1-2-16-6(15)4-17-8-12-11-7(10)13(8)3-5(9)14/h2-4H2,1H3,(H2,9,14)(H2,10,11)