3-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-pyridazin-4-one

Systemtic Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-pyridazin-4-one Openeye Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-pyridazin-4-one CAS Name: 3-[5-[(4-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone IUPAC Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one Traditional Name: 3-[5-[(4-chlorobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-pyridazin-4-one Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5OS/c1-2-26-20(23-24-21(26)29-14-15-8-10-16(22)11-9-15)19-18(28)12-13-27(25-19)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3