2-[2-[4,5-bis(chloranyl)pyridin-2-yl]sulfanylethanoyl]-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-[2-[4,5-bis(chloranyl)pyridin-2-yl]sulfanylethanoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-[2-[(4,5-dichloro-2-pyridyl)sulfanyl]acetyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-[2-[(4,5-dichloro-2-pyridinyl)thio]-1-oxoethyl]-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-[2-(4,5-dichloropyridin-2-yl)sulfanylacetyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-[2-[(4,5-dichloro-2-pyridyl)thio]acetyl]-5-phenyl-2-pyrazolin-3-one Formula: C16H11Cl2N3O2S MolecularWeight: 380.24844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C(=O)CSC2=NC=C(C(=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C(=O)CSC2=NC=C(C(=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H11Cl2N3O2S/c17-11-6-14(19-8-12(11)18)24-9-16(23)21-15(22)7-13(20-21)10-4-2-1-3-5-10/h1-6,8H,7,9H2