2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]ethanoic acid Openeye Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]acetic acid CAS Name: 2-[4-(5,6-diphenyl-2-pyrazinyl)butylthio]acetic acid IUPAC Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]acetic acid Traditional Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylthio]acetic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)CCCCSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)CCCCSCC(=O)O

InChI

InChI=1S/C22H22N2O2S/c25-20(26)16-27-14-8-7-13-19-15-23-21(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)