N-[4-[2-(2-cyano-4-methylsulfonyl-phenyl)hydrazinyl]-5-(methylsulfanylperoxyamino)-1-oxidanylidene-naphthalen-2-ylidene]propanamide

Systemtic Name: N-[4-[2-(2-cyano-4-methylsulfonyl-phenyl)hydrazinyl]-5-(methylsulfanylperoxyamino)-1-oxidanylidene-naphthalen-2-ylidene]propanamide Openeye Name: N-[4-[2-(2-cyano-4-methylsulfonyl-phenyl)hydrazino]-5-(methylsulfanylperoxyamino)-1-oxo-2-naphthylidene]propanamide CAS Name: methanesulfenic acid [[8-[(2-cyano-4-methylsulfonylphenyl)hydrazo]-5-oxo-6-(1-oxopropylimino)-1-naphthalenyl]amino]oxy ester IUPAC Name: N-[4-[2-(2-cyano-4-methylsulfonylphenyl)hydrazinyl]-5-(methylsulfanylperoxyamino)-1-oxonaphthalen-2-ylidene]propanamide Traditional Name: N-[4-[N'-(2-cyano-4-mesyl-phenyl)hydrazino]-1-keto-5-[(methylthio)peroxyamino]-2-naphthylidene]propionamide Formula: C22H21N5O6S2 MolecularWeight: 515.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1C=C(C2=C(C1=O)C=CC=C2NOOSC)NNC3=C(C=C(C=C3)S(=O)(=O)C)C#N

Isomeric SMILES

CCC(=O)N=C1C=C(C2=C(C1=O)C=CC=C2NOOSC)NNC3=C(C=C(C=C3)S(=O)(=O)C)C#N

InChI

InChI=1S/C22H21N5O6S2/c1-4-20(28)24-19-11-18(21-15(22(19)29)6-5-7-17(21)27-32-33-34-2)26-25-16-9-8-14(35(3,30)31)10-13(16)12-23/h5-11,25-27H,4H2,1-3H3