4-[10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-[10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-(10,10-dioxo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-(10,10-diketo-9H-thioxanthen-9-yl)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C24)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1C2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C24)C5=CC=CC=C5

InChI

InChI=1S/C23H18N2O3S/c1-15-21(23(26)25(24-15)16-9-3-2-4-10-16)22-17-11-5-7-13-19(17)29(27,28)20-14-8-6-12-18(20)22/h2-14,21-22H,1H3