[1-(3-chlorophenyl)-2-ethyl-3-methyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate

Systemtic Name: [1-(3-chlorophenyl)-2-ethyl-3-methyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1-(3-chlorophenyl)-2-ethyl-3-methyl-5-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1-(3-chlorophenyl)-2-ethyl-3-methyl-5-oxo-4-pyrazolyl] ester IUPAC Name: [1-(3-chlorophenyl)-2-ethyl-3-methyl-5-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [1-(3-chlorophenyl)-2-ethyl-5-keto-3-methyl-3-pyrazolin-4-yl] ester Formula: C13H12ClN3OS MolecularWeight: 293.77188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1C2=CC(=CC=C2)Cl)SC#N)C

Isomeric SMILES

CCN1C(=C(C(=O)N1C2=CC(=CC=C2)Cl)SC#N)C

InChI

InChI=1S/C13H12ClN3OS/c1-3-16-9(2)12(19-8-15)13(18)17(16)11-6-4-5-10(14)7-11/h4-7H,3H2,1-2H3