4-[(propan-2-ylcarbamoylamino)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-[(isopropylcarbamoylamino)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-[(propan-2-ylcarbamoylamino)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C14H17N6O2- MolecularWeight: 301.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=NC2=NC=NN2)[O-]

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C14H18N6O2/c1-9(2)18-14(22)15-7-10-3-5-11(6-4-10)12(21)19-13-16-8-17-20-13/h3-6,8-9H,7H2,1-2H3,(H2,15,18,22)(H2,16,17,19,20,21)/p-1