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

Systemtic Name: 1-methyl-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-methyl-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-methyl-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-methyl-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-methyl-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C15H19N3S MolecularWeight: 273.39646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)C3=CC=CC=C3SC

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)C3=CC=CC=C3SC

InChI

InChI=1S/C15H19N3S/c1-18-15-12(8-5-6-10-16-15)14(17-18)11-7-3-4-9-13(11)19-2/h3-4,7,9,17H,5-6,8,10H2,1-2H3