(2S)-3-methyl-2-(2-phenylethanoylamino)-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C15H18N5O2- MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=NC1=NC=NN1)[O-])NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=NC1=NC=NN1)[O-])NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H19N5O2/c1-10(2)13(14(22)19-15-16-9-17-20-15)18-12(21)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)/p-1/t13-/m0/s1