(3R)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate

Systemtic Name: (3R)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-5-oxo-1-(p-tolylmethyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-1-[(4-methylphenyl)methyl]-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-1-[(4-methylphenyl)methyl]-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-5-keto-1-(4-methylbenzyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C15H16N5O2- MolecularWeight: 298.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@@H](CC2=O)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H17N5O2/c1-10-2-4-11(5-3-10)7-20-8-12(6-13(20)21)14(22)18-15-16-9-17-19-15/h2-5,9,12H,6-8H2,1H3,(H2,16,17,18,19,22)/p-1/t12-/m1/s1