sodium 1-(4-sulfanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate

Systemtic Name: sodium 1-(4-sulfanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate Openeye Name: sodium 1-(4-thioxo-1H-quinazolin-2-yl)heptadecane-1-sulfonate CAS Name: sodium 1-(4-sulfanylidene-1H-quinazolin-2-yl)-1-heptadecanesulfonate IUPAC Name: sodium 1-(4-sulfanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate Traditional Name: sodium 1-(4-thioxo-1H-quinazolin-2-yl)heptadecane-1-sulfonate Formula: C25H39N2NaO3S2 MolecularWeight: 502.70853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC(=S)C2=CC=CC=C2N1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC(=S)C2=CC=CC=C2N1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H40N2O3S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(32(28,29)30)24-26-22-19-17-16-18-21(22)25(31)27-24;/h16-19,23H,2-15,20H2,1H3,(H,26,27,31)(H,28,29,30);/q;+1/p-1