4-[bis(chloranyl)-fluoranyl-methyl]sulfanyl-3-methoxy-1H-pyrazole-5-carbonitrile

Systemtic Name: 4-[bis(chloranyl)-fluoranyl-methyl]sulfanyl-3-methoxy-1H-pyrazole-5-carbonitrile Openeye Name: 4-[dichloro(fluoro)methyl]sulfanyl-3-methoxy-1H-pyrazole-5-carbonitrile CAS Name: 4-[[dichloro(fluoro)methyl]thio]-3-methoxy-1H-pyrazole-5-carbonitrile IUPAC Name: 4-[dichloro(fluoro)methyl]sulfanyl-3-methoxy-1H-pyrazole-5-carbonitrile Traditional Name: 4-[[dichloro(fluoro)methyl]thio]-3-methoxy-1H-pyrazole-5-carbonitrile Formula: C6H4Cl2FN3OS MolecularWeight: 256.084863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1SC(F)(Cl)Cl)C#N

Isomeric SMILES

COC1=NNC(=C1SC(F)(Cl)Cl)C#N

InChI

InChI=1S/C6H4Cl2FN3OS/c1-13-5-4(14-6(7,8)9)3(2-10)11-12-5/h1H3,(H,11,12)