iron; (4Z)-4-[(5-methylsulfonyl-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-naphthalene-2-carboxamide

Systemtic Name: iron; (4Z)-4-[(5-methylsulfonyl-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-N-phenyl-naphthalene-2-carboxamide Openeye Name: (4Z)-4-[(2-hydroxy-5-methylsulfonyl-phenyl)hydrazono]-3-oxo-N-phenyl-naphthalene-2-carboxamide; iron CAS Name: (4Z)-4-[(2-hydroxy-5-methylsulfonylphenyl)hydrazinylidene]-3-oxo-N-phenyl-2-naphthalenecarboxamide; iron IUPAC Name: (4Z)-4-[(2-hydroxy-5-methylsulfonylphenyl)hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide; iron Traditional Name: (4Z)-4-[(2-hydroxy-5-mesyl-phenyl)hydrazono]-3-keto-N-phenyl-2-naphthamide; iron Formula: C48H38FeN6O10S2 MolecularWeight: 978.82452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)O)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC=CC=C4.CS(=O)(=O)C1=CC(=C(C=C1)O)NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC=CC=C4.[Fe]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)O)N/N=C/2\C(=O)C(=CC3=CC=CC=C23)C(=O)NC4=CC=CC=C4.CS(=O)(=O)C1=CC(=C(C=C1)O)N/N=C/2\C(=O)C(=CC3=CC=CC=C23)C(=O)NC4=CC=CC=C4.[Fe]

InChI

InChI=1S/2C24H19N3O5S.Fe/c2*1-33(31,32)17-11-12-21(28)20(14-17)26-27-22-18-10-6-5-7-15(18)13-19(23(22)29)24(30)25-16-8-3-2-4-9-16;/h2*2-14,26,28H,1H3,(H,25,30);/b2*27-22-;