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

Systemtic Name: 4-[1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carbothioamide Openeye Name: 4-[1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide CAS Name: 4-[1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide IUPAC Name: 4-[1-(4-chlorophenyl)-2,2-dicyanoethyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide Traditional Name: 4-[1-(4-chlorophenyl)-2,2-dicyano-ethyl]-5-keto-3-methyl-3-pyrazoline-1-carbothioamide Formula: C15H12ClN5OS MolecularWeight: 345.80668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5OS/c1-8-12(14(22)21(20-8)15(19)23)13(10(6-17)7-18)9-2-4-11(16)5-3-9/h2-5,10,13,20H,1H3,(H2,19,23)