1-heptylsulfanyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

Systemtic Name: 1-heptylsulfanyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 1-heptylsulfanyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 1-(heptylthio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 1-heptylsulfanyl-5-methyl-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 1-(heptylthio)-5-methyl-[1,2,4]triazolo[4,3-a]quinoline Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN=C2N1C3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCCCCCCSC1=NN=C2N1C3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C18H23N3S/c1-3-4-5-6-9-12-22-18-20-19-17-13-14(2)15-10-7-8-11-16(15)21(17)18/h7-8,10-11,13H,3-6,9,12H2,1-2H3