3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(5-nitropyridin-2-yl)propanamide

Systemtic Name: 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(5-nitropyridin-2-yl)propanamide Openeye Name: 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(5-nitro-2-pyridyl)propanamide CAS Name: 3-cyclopentyl-2-[4-(methylthio)-3-(trifluoromethyl)phenyl]-N-(5-nitro-2-pyridinyl)propanamide IUPAC Name: 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-N-(5-nitropyridin-2-yl)propanamide Traditional Name: 3-cyclopentyl-2-[4-(methylthio)-3-(trifluoromethyl)phenyl]-N-(5-nitro-2-pyridyl)propionamide Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CSC1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S/c1-31-18-8-6-14(11-17(18)21(22,23)24)16(10-13-4-2-3-5-13)20(28)26-19-9-7-15(12-25-19)27(29)30/h6-9,11-13,16H,2-5,10H2,1H3,(H,25,26,28)