2-[[2-[[5-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[[5-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[[5-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[[5-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[[5-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[[5-(3-chlorophenyl)-4-methyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C18H15ClN6O4S MolecularWeight: 446.8675

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C[N+]1=C(NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15ClN6O4S/c1-24-17(11-3-2-4-13(19)7-11)22-23-18(24)30-10-16(27)21-20-9-12-8-14(25(28)29)5-6-15(12)26/h2-9H,10H2,1H3,(H2,20,21,26,27)