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sodium 2-[4-(5,6-diphenylpyrazin-2-yl)sulfanylbutoxy]ethanoate

sodium 2-[4-(5,6-diphenylpyrazin-2-yl)sulfanylbutoxy]ethanoate

Systemtic Name:sodium 2-[4-(5,6-diphenylpyrazin-2-yl)sulfanylbutoxy]ethanoate
Openeye Name:sodium 2-[4-(5,6-diphenylpyrazin-2-yl)sulfanylbutoxy]acetate
CAS Name:sodium 2-[4-[(5,6-diphenyl-2-pyrazinyl)thio]butoxy]acetate
IUPAC Name:sodium 2-[4-(5,6-diphenylpyrazin-2-yl)sulfanylbutoxy]acetate
Traditional Name:sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)thio]butoxy]acetate
Formula: C22H21N2NaO3S
MolecularWeight: 416.46851
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)SCCCCOCC(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)SCCCCOCC(=O)[O-].[Na+]


InChI

InChI=1S/C22H22N2O3S.Na/c25-20(26)16-27-13-7-8-14-28-19-15-23-21(17-9-3-1-4-10-17)22(24-19)18-11-5-2-6-12-18;/h1-6,9-12,15H,7-8,13-14,16H2,(H,25,26);/q;+1/p-1


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