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

Systemtic Name: 5-methyl-1-(oxan-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-(tetrahydropyran-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-(2-oxanylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(oxan-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 5-methyl-1-(tetrahydropyran-2-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC4CCCCO4

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC4CCCCO4

InChI

InChI=1S/C17H19N3OS/c1-12-10-16-18-19-17(22-11-13-6-4-5-9-21-13)20(16)15-8-3-2-7-14(12)15/h2-3,7-8,10,13H,4-6,9,11H2,1H3