4-nitro-2-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazono]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-nitro-2-[[[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]phenolate Formula: C22H16N7O4S- MolecularWeight: 474.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=NC=C4

InChI

InChI=1S/C22H17N7O4S/c30-19-7-6-18(29(32)33)12-16(19)13-24-25-20(31)14-34-22-27-26-21(15-8-10-23-11-9-15)28(22)17-4-2-1-3-5-17/h1-13,30H,14H2,(H,25,31)/p-1