3-[(4-tert-butylphenyl)carbonylamino]-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylamino]-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-[(4-tert-butylbenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-[(4-tert-butylbenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C16H20N5O2- MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-16(2,3)12-6-4-11(5-7-12)14(23)17-9-8-13(22)20-15-18-10-19-21-15/h4-7,10H,8-9H2,1-3H3,(H,17,23)(H2,18,19,20,21,22)/p-1