5-[[4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxo-2-phenyl-1H-pyrazol-5-yl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-[[3-[(octadecylamino)-oxomethyl]phenyl]thio]-3-oxo-2-phenyl-1H-pyrazol-5-yl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxo-2-phenyl-1H-pyrazol-5-yl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-keto-1-phenyl-4-[[3-(stearylcarbamoyl)phenyl]thio]-3-pyrazolin-3-yl]amino]isophthalic acid Formula: C42H54N4O6S MolecularWeight: 742.96636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)NC4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C42H54N4O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-43-39(47)31-22-21-25-36(30-31)53-37-38(45-46(40(37)48)35-23-18-17-19-24-35)44-34-28-32(41(49)50)27-33(29-34)42(51)52/h17-19,21-25,27-30,44-45H,2-16,20,26H2,1H3,(H,43,47)(H,49,50)(H,51,52)