4-[(3-chloranyl-2,6-dimethyl-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-2,6-dimethyl-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-(3-chloro-2,6-dimethyl-phenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-(3-chloro-2,6-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-[(3-chloro-2,6-dimethylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 4-(3-chloro-2,6-dimethyl-phenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C13H14ClN5OS MolecularWeight: 323.80116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)C)N=NC2C(=NN(C2=O)C(=S)N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)C)N=NC2C(=NN(C2=O)C(=S)N)C

InChI

InChI=1S/C13H14ClN5OS/c1-6-4-5-9(14)7(2)10(6)16-17-11-8(3)18-19(12(11)20)13(15)21/h4-5,11H,1-3H3,(H2,15,21)