4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C20H22N5O3S- MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C20H23N5O3S/c1-20(2,3)16-8-10-17(11-9-16)29(27,28)23-12-14-4-6-15(7-5-14)18(26)24-19-21-13-22-25-19/h4-11,13,23H,12H2,1-3H3,(H2,21,22,24,25,26)/p-1