5-(1,4-diazepan-1-yl)-1-(4-ethylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(1,4-diazepan-1-yl)-1-(4-ethylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(1,4-diazepan-1-yl)-1-(4-ethylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(1,4-diazepan-1-yl)-1-(4-ethylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(1,4-diazepan-1-yl)-1-(4-ethylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(1,4-diazepan-1-yl)-1-(4-esylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H20F3N5O2S MolecularWeight: 427.44391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCCNCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCCNCC3

InChI

InChI=1S/C18H20F3N5O2S/c1-2-29(27,28)14-6-4-13(5-7-14)26-17(25-10-3-8-23-9-11-25)15(12-22)16(24-26)18(19,20)21/h4-7,23H,2-3,8-11H2,1H3