1-[4-[(6-oxidanylidene-3-phenyl-4,5-dihydro-1H-pyridazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonic acid

Systemtic Name: 1-[4-[(6-oxidanylidene-3-phenyl-4,5-dihydro-1H-pyridazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonic acid Openeye Name: 1-[4-[(6-oxo-3-phenyl-4,5-dihydro-1H-pyridazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonic acid CAS Name: 1-[4-[(6-oxo-3-phenyl-4,5-dihydro-1H-pyridazin-5-yl)thio]-2-quinazolinyl]-1-heptadecanesulfonic acid IUPAC Name: 1-[4-[(6-oxo-3-phenyl-4,5-dihydro-1H-pyridazin-5-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonic acid Traditional Name: 1-[4-[(6-keto-3-phenyl-4,5-dihydro-1H-pyridazin-5-yl)thio]quinazolin-2-yl]heptadecane-1-sulfonic acid Formula: C35H48N4O4S2 MolecularWeight: 652.91002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)SC3CC(=NNC3=O)C4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)SC3CC(=NNC3=O)C4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C35H48N4O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32(45(41,42)43)33-36-29-24-20-19-23-28(29)35(37-33)44-31-26-30(38-39-34(31)40)27-21-16-15-17-22-27/h15-17,19-24,31-32H,2-14,18,25-26H2,1H3,(H,39,40)(H,41,42,43)