4-[1-[2,3-bis(chloranyl)phenyl]-2,2-dicyano-ethyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide

Systemtic Name: 4-[1-[2,3-bis(chloranyl)phenyl]-2,2-dicyano-ethyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 4-[2,2-dicyano-1-(2,3-dichlorophenyl)ethyl]-5-keto-3-methyl-3-pyrazoline-1-carbothioamide Formula: C15H11Cl2N5OS MolecularWeight: 380.25174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=S)N)C(C2=C(C(=CC=C2)Cl)Cl)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=S)N)C(C2=C(C(=CC=C2)Cl)Cl)C(C#N)C#N

InChI

InChI=1S/C15H11Cl2N5OS/c1-7-11(14(23)22(21-7)15(20)24)12(8(5-18)6-19)9-3-2-4-10(16)13(9)17/h2-4,8,12,21H,1H3,(H2,20,24)