3-(2-phenylethanoylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-(2-phenylethanoylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C13H14N5O2- MolecularWeight: 272.28256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCC(=NC2=NC=NN2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCC(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C13H15N5O2/c19-11(17-13-15-9-16-18-13)6-7-14-12(20)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,20)(H2,15,16,17,18,19)/p-1