2-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 4-(2-chloro-4-nitro-phenyl)azo-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one CAS Name: 4-(2-chloro-4-nitrophenyl)azo-2-(1,1-dioxo-3-thiolanyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one Traditional Name: 4-(2-chloro-4-nitro-phenyl)azo-2-(1,1-diketothiolan-3-yl)-5-methyl-2-pyrazolin-3-one Formula: C14H14ClN5O5S MolecularWeight: 399.80946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CCS(=O)(=O)C3

InChI

InChI=1S/C14H14ClN5O5S/c1-8-13(14(21)19(18-8)10-4-5-26(24,25)7-10)17-16-12-3-2-9(20(22)23)6-11(12)15/h2-3,6,10,13H,4-5,7H2,1H3