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

Systemtic Name: 3-(methylsulfanylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(methylsulfanylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-[(methylthio)methyl]-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(methylsulfanylmethyl)-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-[(methylthio)methyl]-1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H18F3N3S MolecularWeight: 341.39443

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H18F3N3S/c1-23-10-14-13-4-2-3-9-20-15(13)22(21-14)12-7-5-11(6-8-12)16(17,18)19/h5-8,21H,2-4,9-10H2,1H3