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

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

Systemtic Name:1-(4-sulfanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate
Openeye Name:1-(4-thioxo-1H-quinazolin-2-yl)heptadecane-1-sulfonate
CAS Name:1-(4-sulfanylidene-1H-quinazolin-2-yl)-1-heptadecanesulfonate
IUPAC Name:1-(4-sulfanylidene-1H-quinazolin-2-yl)heptadecane-1-sulfonate
Traditional Name:1-(4-thioxo-1H-quinazolin-2-yl)heptadecane-1-sulfonate
Formula: C25H39N2O3S2-
MolecularWeight: 479.71876
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H40N2O3S2/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)/p-1


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