azepan-1-yl-[3-naphthalen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methanethione

Systemtic Name: azepan-1-yl-[3-naphthalen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methanethione Openeye Name: azepan-1-yl-[3-(2-naphthyl)-5-(trifluoromethyl)pyrazol-1-yl]methanethione CAS Name: 1-azepanyl-[3-(2-naphthalenyl)-5-(trifluoromethyl)-1-pyrazolyl]methanethione IUPAC Name: azepan-1-yl-[3-naphthalen-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methanethione Traditional Name: azepan-1-yl-[3-(2-naphthyl)-5-(trifluoromethyl)pyrazol-1-yl]methanethione Formula: C21H20F3N3S MolecularWeight: 403.46381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=S)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3S/c22-21(23,24)19-14-18(17-10-9-15-7-3-4-8-16(15)13-17)25-27(19)20(28)26-11-5-1-2-6-12-26/h3-4,7-10,13-14H,1-2,5-6,11-12H2