1-[4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]pyridin-2-yl]azepane

Systemtic Name: 1-[4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]pyridin-2-yl]azepane Openeye Name: 1-[4-[4-(2-isopropylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-2-pyridyl]azepane CAS Name: 1-[4-[4-[(2-propan-2-ylphenyl)thio]-3-(trifluoromethyl)phenyl]-2-pyridinyl]azepane IUPAC Name: 1-[4-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]pyridin-2-yl]azepane Traditional Name: 1-[4-[4-(o-cumenylthio)-3-(trifluoromethyl)phenyl]-2-pyridyl]azepane Formula: C27H29F3N2S MolecularWeight: 470.59277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=NC=C3)N4CCCCCC4)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=NC=C3)N4CCCCCC4)C(F)(F)F

InChI

InChI=1S/C27H29F3N2S/c1-19(2)22-9-5-6-10-24(22)33-25-12-11-20(17-23(25)27(28,29)30)21-13-14-31-26(18-21)32-15-7-3-4-8-16-32/h5-6,9-14,17-19H,3-4,7-8,15-16H2,1-2H3