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

Systemtic Name: [1-(3,4-dichlorophenyl)-2-ethyl-3-methyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1-(3,4-dichlorophenyl)-2-ethyl-3-methyl-5-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1-(3,4-dichlorophenyl)-2-ethyl-3-methyl-5-oxo-4-pyrazolyl] ester IUPAC Name: [1-(3,4-dichlorophenyl)-2-ethyl-3-methyl-5-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [1-(3,4-dichlorophenyl)-2-ethyl-5-keto-3-methyl-3-pyrazolin-4-yl] ester Formula: C13H11Cl2N3OS MolecularWeight: 328.21694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N3OS/c1-3-17-8(2)12(20-7-16)13(19)18(17)9-4-5-10(14)11(15)6-9/h4-6H,3H2,1-2H3