4-isocyano-6-[(2Z)-2-[8-(methylsulfanylperoxyamino)-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile

Systemtic Name: 4-isocyano-6-[(2Z)-2-[8-(methylsulfanylperoxyamino)-4-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile Openeye Name: 4-isocyano-6-[(2Z)-2-[8-(methylsulfanylperoxyamino)-4-oxo-1-naphthylidene]hydrazino]benzene-1,3-dicarbonitrile CAS Name: methanesulfenic acid [[(8Z)-8-[(2,4-dicyano-5-isocyanophenyl)hydrazinylidene]-5-oxo-1-naphthalenyl]amino]oxy ester IUPAC Name: 4-isocyano-6-[(2Z)-2-[8-(methylsulfanylperoxyamino)-4-oxonaphthalen-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile Traditional Name: 4-isocyano-6-[(N'Z)-N'-[4-keto-8-[(methylthio)peroxyamino]-1-naphthylidene]hydrazino]isophthalonitrile Formula: C20H12N6O3S MolecularWeight: 416.41268

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Descriptors Computed from Structure

Canonical SMILES:

CSOONC1=CC=CC2=C1C(=NNC3=C(C=C(C(=C3)[N+]#[C-])C#N)C#N)C=CC2=O

Isomeric SMILES

CSOONC1=CC=CC2=C1/C(=N\NC3=C(C=C(C(=C3)[N+]#[C-])C#N)C#N)/C=CC2=O

InChI

InChI=1S/C20H12N6O3S/c1-23-17-9-18(13(11-22)8-12(17)10-21)25-24-15-6-7-19(27)14-4-3-5-16(20(14)15)26-28-29-30-2/h3-9,25-26H,2H3/b24-15-