5-methyl-1-(4-phenoxybutylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline

Systemtic Name: 5-methyl-1-(4-phenoxybutylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-(4-phenoxybutylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-(4-phenoxybutylthio)-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(4-phenoxybutylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 5-methyl-1-(4-phenoxybutylthio)-[1,2,4]triazolo[4,3-a]quinoline Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCCCCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCCCCOC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-16-15-20-22-23-21(24(20)19-12-6-5-11-18(16)19)26-14-8-7-13-25-17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3