(2S)-2-(1-adamantylcarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: (2S)-2-(1-adamantylcarbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: (2S)-2-(adamantane-1-carbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: (2S)-2-(adamantane-1-carbonylamino)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C16H22N5O2- MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC1=NC=NN1)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=NC1=NC=NN1)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H23N5O2/c1-9(13(22)20-15-17-8-18-21-15)19-14(23)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,19,23)(H2,17,18,20,21,22)/p-1/t9-,10?,11?,12?,16?/m0/s1