4-[3-[2-(6-fluoranyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine

Systemtic Name: 4-[3-[2-(6-fluoranyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine Openeye Name: 4-[3-[2-(6-fluoro-1H-indol-3-yl)ethylsulfanyl]-5-(2-quinolyl)-1,2,4-triazol-4-yl]butan-1-amine CAS Name: 4-[3-[2-(6-fluoro-1H-indol-3-yl)ethylthio]-5-(2-quinolinyl)-1,2,4-triazol-4-yl]-1-butanamine IUPAC Name: 4-[3-[2-(6-fluoro-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine Traditional Name: 4-[3-[2-(6-fluoro-1H-indol-3-yl)ethylthio]-5-(2-quinolyl)-1,2,4-triazol-4-yl]butylamine Formula: C25H25FN6S MolecularWeight: 460.569603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3CCCCN)SCCC4=CNC5=C4C=CC(=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3CCCCN)SCCC4=CNC5=C4C=CC(=C5)F

InChI

InChI=1S/C25H25FN6S/c26-19-8-9-20-18(16-28-23(20)15-19)11-14-33-25-31-30-24(32(25)13-4-3-12-27)22-10-7-17-5-1-2-6-21(17)29-22/h1-2,5-10,15-16,28H,3-4,11-14,27H2