5-oxidanylidene-3-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazole-1-carbothioamide

Systemtic Name: 5-oxidanylidene-3-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: 5-oxo-3-phenyl-4-[(4-phenylazophenyl)hydrazono]pyrazole-1-carbothioamide CAS Name: 5-oxo-3-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: 5-oxo-3-phenyl-4-[(4-phenyldiazenylphenyl)hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: 5-keto-3-phenyl-4-[(4-phenylazophenyl)hydrazono]-2-pyrazoline-1-carbothioamide Formula: C22H17N7OS MolecularWeight: 427.48168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(=S)N

InChI

InChI=1S/C22H17N7OS/c23-22(31)29-21(30)20(19(28-29)15-7-3-1-4-8-15)27-26-18-13-11-17(12-14-18)25-24-16-9-5-2-6-10-16/h1-14,26H,(H2,23,31)