4-[3-(3-prop-2-ynylsulfanylquinolin-4-yl)sulfanylquinolin-4-yl]oxybutan-1-ol

Systemtic Name: 4-[3-(3-prop-2-ynylsulfanylquinolin-4-yl)sulfanylquinolin-4-yl]oxybutan-1-ol Openeye Name: 4-[[3-[(3-prop-2-ynylsulfanyl-4-quinolyl)sulfanyl]-4-quinolyl]oxy]butan-1-ol CAS Name: 4-[[3-[[3-(prop-2-ynylthio)-4-quinolinyl]thio]-4-quinolinyl]oxy]-1-butanol IUPAC Name: 4-[3-(3-prop-2-ynylsulfanylquinolin-4-yl)sulfanylquinolin-4-yl]oxybutan-1-ol Traditional Name: 4-[[3-[[3-(propargylthio)-4-quinolyl]thio]-4-quinolyl]oxy]butan-1-ol Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(C2=CC=CC=C2N=C1)SC3=C(C4=CC=CC=C4N=C3)OCCCCO

Isomeric SMILES

C#CCSC1=C(C2=CC=CC=C2N=C1)SC3=C(C4=CC=CC=C4N=C3)OCCCCO

InChI

InChI=1S/C25H22N2O2S2/c1-2-15-30-23-17-27-21-12-6-4-10-19(21)25(23)31-22-16-26-20-11-5-3-9-18(20)24(22)29-14-8-7-13-28/h1,3-6,9-12,16-17,28H,7-8,13-15H2