ethyl 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C9H12N6O2 MolecularWeight: 236.23058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NNC(=N1)CN2C=NC=N2

Isomeric SMILES

CCOC(=O)CC1=NNC(=N1)CN2C=NC=N2

InChI

InChI=1S/C9H12N6O2/c1-2-17-9(16)3-7-12-8(14-13-7)4-15-6-10-5-11-15/h5-6H,2-4H2,1H3,(H,12,13,14)