4-[(4-iodanyl-2-methyl-phenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide

Systemtic Name: 4-[(4-iodanyl-2-methyl-phenyl)hydrazinylidene]-5-oxidanylidene-3-phenyl-pyrazole-1-carbothioamide Openeye Name: 4-[(4-iodo-2-methyl-phenyl)hydrazono]-5-oxo-3-phenyl-pyrazole-1-carbothioamide CAS Name: 4-[(4-iodo-2-methylphenyl)hydrazinylidene]-5-oxo-3-phenyl-1-pyrazolecarbothioamide IUPAC Name: 4-[(4-iodo-2-methylphenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide Traditional Name: 4-[(4-iodo-2-methyl-phenyl)hydrazono]-5-keto-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C17H14IN5OS MolecularWeight: 463.29543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C17H14IN5OS/c1-10-9-12(18)7-8-13(10)20-21-15-14(11-5-3-2-4-6-11)22-23(16(15)24)17(19)25/h2-9,20H,1H3,(H2,19,25)