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

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

CCN1C2=NCCCCC2=C(N1)CSC

Isomeric SMILES

CCN1C2=NCCCCC2=C(N1)CSC

InChI

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