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

Systemtic Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]ethanoic acid; propan-2-amine Openeye Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]acetic acid; propan-2-amine CAS Name: 2-[4-(5,6-diphenyl-2-pyrazinyl)butylthio]acetic acid; 2-propanamine IUPAC Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylsulfanyl]acetic acid; propan-2-amine Traditional Name: 2-[4-(5,6-diphenylpyrazin-2-yl)butylthio]acetic acid; isopropylamine Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S.C3H9N/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;1-3(2)4/h1-6,9-12,15H,7-8,13-14,16H2,(H,25,26);3H,4H2,1-2H3