[3-oxidanylidene-5-pentadecyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-4-yl] thiocyanate

Systemtic Name: [3-oxidanylidene-5-pentadecyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-4-yl] thiocyanate Openeye Name: [3-oxo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [3-oxo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl] ester IUPAC Name: [3-oxo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-keto-3-pentadecyl-1-(2,4,6-trichlorophenyl)-3-pyrazolin-4-yl] ester Formula: C25H34Cl3N3OS MolecularWeight: 530.98096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl)SC#N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl)SC#N

InChI

InChI=1S/C25H34Cl3N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-24(33-18-29)25(32)31(30-22)23-20(27)16-19(26)17-21(23)28/h16-17,30H,2-15H2,1H3