(2E)-7-[(6-chloranyl-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-3-(trioxidanylsulfanyl)-2-[[3-(trioxidanylsulfanyl)phenyl]hydrazinylidene]naphthalen-1-one

Systemtic Name: (2E)-7-[(6-chloranyl-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-3-(trioxidanylsulfanyl)-2-[[3-(trioxidanylsulfanyl)phenyl]hydrazinylidene]naphthalen-1-one Openeye Name: (2E)-7-[(6-chloro-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-3-(trioxidanylsulfanyl)-2-[[3-(trioxidanylsulfanyl)phenyl]hydrazono]naphthalen-1-one CAS Name: (3E)-6-[(6-chloro-5-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-4-oxo-3-[[3-(trioxidanylthio)phenyl]hydrazinylidene]-2-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: (2E)-7-[(6-chloro-5-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-3-(trioxidanylsulfanyl)-2-[[3-(trioxidanylsulfanyl)phenyl]hydrazinylidene]naphthalen-1-one Traditional Name: (2E)-7-[(6-chloro-2-mesyl-5-methyl-pyrimidin-4-yl)amino]-3-(trioxidanylthio)-2-[[3-(trioxidanylthio)phenyl]hydrazono]naphthalen-1-one Formula: C22H18ClN5O9S3 MolecularWeight: 628.05442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)S(=O)(=O)C)NC2=CC3=C(C=C2)C=C(C(=NNC4=CC(=CC=C4)SOOO)C3=O)SOOO

Isomeric SMILES

CC1=C(N=C(N=C1Cl)S(=O)(=O)C)NC2=CC3=C(C=C2)C=C(/C(=N/NC4=CC(=CC=C4)SOOO)/C3=O)SOOO

InChI

InChI=1S/C22H18ClN5O9S3/c1-11-20(23)25-22(40(2,32)33)26-21(11)24-13-7-6-12-8-17(39-37-35-31)18(19(29)16(12)10-13)28-27-14-4-3-5-15(9-14)38-36-34-30/h3-10,27,30-31H,1-2H3,(H,24,25,26)/b28-18-