[1-[2,6-bis(chloranyl)phenyl]-2,3-dimethyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate

Systemtic Name: [1-[2,6-bis(chloranyl)phenyl]-2,3-dimethyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1-(2,6-dichlorophenyl)-2,3-dimethyl-5-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1-(2,6-dichlorophenyl)-2,3-dimethyl-5-oxo-4-pyrazolyl] ester IUPAC Name: [1-(2,6-dichlorophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [1-(2,6-dichlorophenyl)-5-keto-2,3-dimethyl-3-pyrazolin-4-yl] ester Formula: C12H9Cl2N3OS MolecularWeight: 314.19036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=C(C=CC=C2Cl)Cl)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=C(C=CC=C2Cl)Cl)SC#N

InChI

InChI=1S/C12H9Cl2N3OS/c1-7-11(19-6-15)12(18)17(16(7)2)10-8(13)4-3-5-9(10)14/h3-5H,1-2H3