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

Systemtic Name: 4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carbothioamide Openeye Name: 4-(2-benzoyl-4-chloro-phenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide CAS Name: 4-(2-benzoyl-4-chlorophenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide IUPAC Name: 4-[(2-benzoyl-4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide Traditional Name: 4-(2-benzoyl-4-chloro-phenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C18H14ClN5O2S/c1-10-15(17(26)24(23-10)18(20)27)22-21-14-8-7-12(19)9-13(14)16(25)11-5-3-2-4-6-11/h2-9,15H,1H3,(H2,20,27)