N'-[(E)-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]ethanedithioamide

Systemtic Name: N'-[(E)-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]ethanedithioamide Openeye Name: N'-[(E)-(3-amino-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]ethanedithioamide CAS Name: N'-[(E)-(3-amino-5-oxo-1-phenyl-4-pyrazolylidene)methyl]ethanedithioamide IUPAC Name: N'-[(E)-(3-amino-5-oxo-1-phenylpyrazol-4-ylidene)methyl]ethanedithioamide Traditional Name: N'-[(E)-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)methyl]ethanedithioamide Formula: C12H11N5OS2 MolecularWeight: 305.37864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CNC(=S)C(=S)N)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/NC(=S)C(=S)N)/C(=N2)N

InChI

InChI=1S/C12H11N5OS2/c13-9-8(6-15-11(20)10(14)19)12(18)17(16-9)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H2,14,19)(H,15,20)/b8-6+