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

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H12ClN5O3S/c1-21-15(10-4-6-18-7-5-10)19-20-16(21)26-9-14(23)11-2-3-12(17)13(8-11)22(24)25/h2-8H,9H2,1H3