4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-N-(3-octadecylsulfanyl-2-oxidanyl-naphthalen-1-yl)benzenesulfonamide

Systemtic Name: 4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-N-(3-octadecylsulfanyl-2-oxidanyl-naphthalen-1-yl)benzenesulfonamide Openeye Name: N-(2-hydroxy-3-octadecylsulfanyl-1-naphthyl)-4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzenesulfonamide CAS Name: N-[2-hydroxy-3-(octadecylthio)-1-naphthalenyl]-4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzenesulfonamide IUPAC Name: N-(2-hydroxy-3-octadecylsulfanylnaphthalen-1-yl)-4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzenesulfonamide Traditional Name: N-[2-hydroxy-3-(stearylthio)-1-naphthyl]-4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]benzenesulfonamide Formula: C44H57N5O4S2 MolecularWeight: 784.08448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC2=CC=CC=C2C(=C1O)NS(=O)(=O)C3=CC=C(C=C3)NN=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC2=CC=CC=C2C(=C1O)NS(=O)(=O)C3=CC=C(C=C3)N/N=C/4\C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C44H57N5O4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-32-54-40-33-35-24-21-22-27-39(35)42(43(40)50)48-55(52,53)38-30-28-36(29-31-38)45-46-41-34(2)47-49(44(41)51)37-25-19-18-20-26-37/h18-22,24-31,33,45,48,50H,3-17,23,32H2,1-2H3/b46-41+