6-chloranyl-3-[2-(1-ethylsulfanylethyl)-3,5,6-trimethyl-phenoxy]-1H-pyridazin-4-one

Systemtic Name: 6-chloranyl-3-[2-(1-ethylsulfanylethyl)-3,5,6-trimethyl-phenoxy]-1H-pyridazin-4-one Openeye Name: 6-chloro-3-[2-(1-ethylsulfanylethyl)-3,5,6-trimethyl-phenoxy]-1H-pyridazin-4-one CAS Name: 6-chloro-3-[2-[1-(ethylthio)ethyl]-3,5,6-trimethylphenoxy]-1H-pyridazin-4-one IUPAC Name: 6-chloro-3-[2-(1-ethylsulfanylethyl)-3,5,6-trimethylphenoxy]-1H-pyridazin-4-one Traditional Name: 6-chloro-3-[2-[1-(ethylthio)ethyl]-3,5,6-trimethyl-phenoxy]-1H-pyridazin-4-one Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)C1=C(C=C(C(=C1OC2=NNC(=CC2=O)Cl)C)C)C

Isomeric SMILES

CCSC(C)C1=C(C=C(C(=C1OC2=NNC(=CC2=O)Cl)C)C)C

InChI

InChI=1S/C17H21ClN2O2S/c1-6-23-12(5)15-10(3)7-9(2)11(4)16(15)22-17-13(21)8-14(18)19-20-17/h7-8,12H,6H2,1-5H3,(H,19,21)