3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C13H16N7O- MolecularWeight: 286.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=NC2=NC=NN2)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C13H17N7O/c1-9-11(10(2)20(19-9)7-3-6-14)4-5-12(21)17-13-15-8-16-18-13/h8H,3-5,7H2,1-2H3,(H2,15,16,17,18,21)/p-1