4-[(3-chloranyl-2-methyl-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-(3-chloro-2-methyl-phenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-(3-chloro-2-methylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-[(3-chloro-2-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 4-(3-chloro-2-methyl-phenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C12H12ClN5OS MolecularWeight: 309.77458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C(=CC=C2)Cl)C)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C(=CC=C2)Cl)C)C(=S)N

InChI

InChI=1S/C12H12ClN5OS/c1-6-8(13)4-3-5-9(6)15-16-10-7(2)17-18(11(10)19)12(14)20/h3-5,10H,1-2H3,(H2,14,20)