3-oxidanylidene-5-phenylazanyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazole-4-carbothialdehyde

Systemtic Name: 3-oxidanylidene-5-phenylazanyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazole-4-carbothialdehyde Openeye Name: 5-anilino-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbothialdehyde CAS Name: 5-anilino-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbothioaldehyde IUPAC Name: 5-anilino-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbothialdehyde Traditional Name: 3-anilino-5-keto-1-(2,4,6-trichlorophenyl)-3-pyrazoline-4-carbothialdehyde Formula: C16H10Cl3N3OS MolecularWeight: 398.6941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)C=S

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)C=S

InChI

InChI=1S/C16H10Cl3N3OS/c17-9-6-12(18)14(13(19)7-9)22-16(23)11(8-24)15(21-22)20-10-4-2-1-3-5-10/h1-8,20-21H