(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: (2S)-3-methyl-2-[(3-methylbenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: (2S)-3-methyl-2-[(3-methylbenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C15H18N5O2- MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=NC2=NC=NN2)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C15H19N5O2/c1-9(2)12(14(22)19-15-16-8-17-20-15)18-13(21)11-6-4-5-10(3)7-11/h4-9,12H,1-3H3,(H,18,21)(H2,16,17,19,20,22)/p-1/t12-/m0/s1