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

Systemtic Name: 1-ethyl-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-ethyl-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-ethyl-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-ethyl-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-ethyl-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H21N3S MolecularWeight: 287.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NCCCCC2=C(N1)C3=CC=CC=C3SC

Isomeric SMILES

CCN1C2=NCCCCC2=C(N1)C3=CC=CC=C3SC

InChI

InChI=1S/C16H21N3S/c1-3-19-16-13(9-6-7-11-17-16)15(18-19)12-8-4-5-10-14(12)20-2/h4-5,8,10,18H,3,6-7,9,11H2,1-2H3