(2S)-2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate

Systemtic Name: (2S)-2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate Openeye Name: (2S)-2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate CAS Name: (2S)-2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate IUPAC Name: (2S)-2-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate Traditional Name: (2S)-2-phenyl-N-(1H-1,2,4-triazol-5-yl)valerimidate Formula: C13H15N4O- MolecularWeight: 243.2844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)C(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C13H16N4O/c1-2-6-11(10-7-4-3-5-8-10)12(18)16-13-14-9-15-17-13/h3-5,7-9,11H,2,6H2,1H3,(H2,14,15,16,17,18)/p-1/t11-/m0/s1