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

Systemtic Name: 1-methyl-3-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-methyl-3-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-methyl-3-[(methylthio)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-methyl-3-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-methyl-3-[(methylthio)methyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C10H17N3S MolecularWeight: 211.32708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)CSC

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)CSC

InChI

InChI=1S/C10H17N3S/c1-13-10-8(5-3-4-6-11-10)9(12-13)7-14-2/h12H,3-7H2,1-2H3