N'-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2-(phenylmethylsulfanyl)propanehydrazide

Systemtic Name: N'-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-2-(phenylmethylsulfanyl)propanehydrazide Openeye Name: 2-benzylsulfanyl-N'-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]propanehydrazide CAS Name: N'-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-(phenylmethylthio)propanehydrazide IUPAC Name: 2-benzylsulfanyl-N'-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]propanehydrazide Traditional Name: 2-(benzylthio)-N'-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]propionohydrazide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNNC(=O)C(C)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NNC(=O)C(C)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-15-19(21(27)25(24-15)18-11-7-4-8-12-18)13-22-23-20(26)16(2)28-14-17-9-5-3-6-10-17/h3-13,16,22H,14H2,1-2H3,(H,23,26)/b19-13+