3-methyl-5-oxidanylidene-4-[(4-phenoxyphenyl)hydrazinylidene]pyrazole-1-carbothioamide

Systemtic Name: 3-methyl-5-oxidanylidene-4-[(4-phenoxyphenyl)hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: 3-methyl-5-oxo-4-[(4-phenoxyphenyl)hydrazono]pyrazole-1-carbothioamide CAS Name: 3-methyl-5-oxo-4-[(4-phenoxyphenyl)hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: 3-methyl-5-oxo-4-[(4-phenoxyphenyl)hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: 5-keto-3-methyl-4-[(4-phenoxyphenyl)hydrazono]-2-pyrazoline-1-carbothioamide Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C17H15N5O2S/c1-11-15(16(23)22(21-11)17(18)25)20-19-12-7-9-14(10-8-12)24-13-5-3-2-4-6-13/h2-10,19H,1H3,(H2,18,25)