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

Systemtic Name: ethyl 2-[[5-azanyl-4-(cyanomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C8H11N5O2S MolecularWeight: 241.27024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N5O2S/c1-2-15-6(14)5-16-8-12-11-7(10)13(8)4-3-9/h2,4-5H2,1H3,(H2,10,11)