1-methyl-3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-methyl-3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-methyl-3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-methyl-3-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-methyl-3-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-methyl-3-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C11H19N3S MolecularWeight: 225.35366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)CCSC

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)CCSC

InChI

InChI=1S/C11H19N3S/c1-14-11-9(5-3-4-7-12-11)10(13-14)6-8-15-2/h13H,3-8H2,1-2H3