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

Systemtic Name: 5-(1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(1,4-diazepan-1-yl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(1,4-diazepan-1-yl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H18F3N5O2S MolecularWeight: 413.41733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5O2S/c1-28(26,27)13-5-3-12(4-6-13)25-16(24-9-2-7-22-8-10-24)14(11-21)15(23-25)17(18,19)20/h3-6,22H,2,7-10H2,1H3