[5-azanyl-3-cyano-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-4-yl] thiocyanate

Systemtic Name: [5-azanyl-3-cyano-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-4-yl] thiocyanate Openeye Name: [5-amino-3-cyano-1-(2,4,6-trichlorophenyl)pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [5-amino-3-cyano-1-(2,4,6-trichlorophenyl)-4-pyrazolyl] ester IUPAC Name: [5-amino-3-cyano-1-(2,4,6-trichlorophenyl)pyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-amino-3-cyano-1-(2,4,6-trichlorophenyl)pyrazol-4-yl] ester Formula: C11H4Cl3N5S MolecularWeight: 344.60696

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SC#N)N)Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SC#N)N)Cl)Cl

InChI

InChI=1S/C11H4Cl3N5S/c12-5-1-6(13)9(7(14)2-5)19-11(17)10(20-4-16)8(3-15)18-19/h1-2H,17H2