2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one

Systemtic Name: 2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Openeye Name: 2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one CAS Name: 2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]-3-thiophenone IUPAC Name: 2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Traditional Name: 2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Formula: C16H18F3NOS MolecularWeight: 329.38043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)C(=C(S1)NC)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCC1C(=O)C(=C(S1)NC)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3NOS/c1-3-4-8-12-14(21)13(15(20-2)22-12)10-6-5-7-11(9-10)16(17,18)19/h5-7,9,12,20H,3-4,8H2,1-2H3