cobalt; 5-methyl-2-(4-methylphenyl)-4-[(2E)-2-(3-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-1H-pyrazol-3-one

Systemtic Name: cobalt; 5-methyl-2-(4-methylphenyl)-4-[(2E)-2-(3-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-1H-pyrazol-3-one Openeye Name: cobalt; 5-methyl-4-[(2E)-2-(3-methylsulfonyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: cobalt; 5-methyl-2-(4-methylphenyl)-4-[(2E)-2-(3-methylsulfonyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-1H-pyrazol-3-one IUPAC Name: cobalt; 5-methyl-2-(4-methylphenyl)-4-[(2E)-2-(3-methylsulfonyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-1H-pyrazol-3-one Traditional Name: cobalt; 4-[(N'E)-N'-(6-keto-3-mesyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-2-(p-tolyl)-3-pyrazolin-3-one Formula: C36H36CoN8O8S2 MolecularWeight: 831.78304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)NN=C3C=C(C=CC3=O)S(=O)(=O)C.CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)NN=C3C=C(C=CC3=O)S(=O)(=O)C.[Co]

Isomeric SMILES

CC1=CC=C(C=C1)N2NC(=C(C2=O)N/N=C\3/C(=O)C=CC(=C3)S(=O)(=O)C)C.CC1=CC=C(C=C1)N2NC(=C(C2=O)N/N=C\3/C(=O)C=CC(=C3)S(=O)(=O)C)C.[Co]

InChI

InChI=1S/2C18H18N4O4S.Co/c2*1-11-4-6-13(7-5-11)22-18(24)17(12(2)21-22)20-19-15-10-14(27(3,25)26)8-9-16(15)23;/h2*4-10,20-21H,1-3H3;/b2*19-15+;