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

Systemtic Name: 1-(2-ethylphenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-ethylphenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-ethylphenyl)-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-ethylphenyl)-3-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-ethylphenyl)-3-[2-(methylthio)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C22H25N3S MolecularWeight: 363.519

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CC=C4SC

Isomeric SMILES

CCC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CC=C4SC

InChI

InChI=1S/C22H25N3S/c1-3-16-10-4-6-13-19(16)25-22-18(12-8-9-15-23-22)21(24-25)17-11-5-7-14-20(17)26-2/h4-7,10-11,13-14,24H,3,8-9,12,15H2,1-2H3