1-[4-[(2-oxidanylidene-5-phenyl-3H-furan-3-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate

Systemtic Name: 1-[4-[(2-oxidanylidene-5-phenyl-3H-furan-3-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate Openeye Name: 1-[4-[(2-oxo-5-phenyl-3H-furan-3-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate CAS Name: 1-[4-[(2-oxo-5-phenyl-3H-furan-3-yl)thio]-2-quinazolinyl]-1-heptadecanesulfonate IUPAC Name: 1-[4-[(2-oxo-5-phenyl-3H-furan-3-yl)sulfanyl]quinazolin-2-yl]heptadecane-1-sulfonate Traditional Name: 1-[4-[(2-keto-5-phenyl-3H-furan-3-yl)thio]quinazolin-2-yl]heptadecane-1-sulfonate Formula: C35H45N2O5S2- MolecularWeight: 637.8722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)SC3C=C(OC3=O)C4=CC=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=N1)SC3C=C(OC3=O)C4=CC=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C35H46N2O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32(44(39,40)41)33-36-29-24-20-19-23-28(29)34(37-33)43-31-26-30(42-35(31)38)27-21-16-15-17-22-27/h15-17,19-24,26,31-32H,2-14,18,25H2,1H3,(H,39,40,41)/p-1