2-[[5-(6-chloranylpyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(6-chloranylpyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(6-chloro-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(6-chloro-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(6-chloropyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(6-chloro-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4OS/c1-21-15(12-7-8-14(17)18-9-12)19-20-16(21)23-10-13(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3