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

Systemtic Name: 4-[3-[2-(1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine Openeye Name: 4-[3-[2-(1H-indol-3-yl)ethylsulfanyl]-5-(2-quinolyl)-1,2,4-triazol-4-yl]butan-1-amine CAS Name: 4-[3-[2-(1H-indol-3-yl)ethylthio]-5-(2-quinolinyl)-1,2,4-triazol-4-yl]-1-butanamine IUPAC Name: 4-[3-[2-(1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine Traditional Name: 4-[3-[2-(1H-indol-3-yl)ethylthio]-5-(2-quinolyl)-1,2,4-triazol-4-yl]butylamine Formula: C25H26N6S MolecularWeight: 442.57914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3CCCCN)SCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3CCCCN)SCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H26N6S/c26-14-5-6-15-31-24(23-12-11-18-7-1-3-9-21(18)28-23)29-30-25(31)32-16-13-19-17-27-22-10-4-2-8-20(19)22/h1-4,7-12,17,27H,5-6,13-16,26H2