2-[(2Z)-2-[6-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-1-oxidanylidene-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 2-[(2Z)-2-[6-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-1-oxidanylidene-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 2-[(2Z)-2-[6-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-1-oxo-3-(trioxidanylsulfanyl)-2-naphthylidene]hydrazino]benzenesulfonic acid CAS Name: 2-[(2Z)-2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-oxo-3-(trioxidanylthio)-2-naphthalenylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 2-[(2Z)-2-[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxo-3-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-[(N'Z)-N'-[6-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-1-keto-3-(trioxidanylthio)-2-naphthylidene]hydrazino]besylic acid Formula: C20H12ClF2N5O7S2 MolecularWeight: 571.918386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=C(C(=NC(=N4)F)F)Cl)SOOO)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC4=C(C(=NC(=N4)F)F)Cl)SOOO)S(=O)(=O)O

InChI

InChI=1S/C20H12ClF2N5O7S2/c21-15-18(22)25-20(23)26-19(15)24-10-5-6-11-9(7-10)8-13(36-35-34-30)16(17(11)29)28-27-12-3-1-2-4-14(12)37(31,32)33/h1-8,27,30H,(H,24,25,26)(H,31,32,33)/b28-16+