4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C16H13N6O5S- MolecularWeight: 401.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NC3=NC=NN3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O5S/c1-10-2-7-13(8-14(10)22(24)25)28(26,27)21-12-5-3-11(4-6-12)15(23)19-16-17-9-18-20-16/h2-9,21H,1H3,(H2,17,18,19,20,23)/p-1