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

Systemtic Name: [1-ethyl-5-methyl-2-(4-methylsulfonylphenyl)-3-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1-ethyl-5-methyl-2-(4-methylsulfonylphenyl)-3-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1-ethyl-5-methyl-2-(4-methylsulfonylphenyl)-3-oxo-4-pyrazolyl] ester IUPAC Name: [1-ethyl-5-methyl-2-(4-methylsulfonylphenyl)-3-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [1-ethyl-3-keto-2-(4-mesylphenyl)-5-methyl-3-pyrazolin-4-yl] ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S2/c1-4-16-10(2)13(21-9-15)14(18)17(16)11-5-7-12(8-6-11)22(3,19)20/h5-8H,4H2,1-3H3