5-azanyl-2-(2-naphthalen-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one

Systemtic Name: 5-azanyl-2-(2-naphthalen-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Openeye Name: 5-amino-2-[2-(1-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]thiophen-3-one CAS Name: 5-amino-2-[2-(1-naphthalenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3-thiophenone IUPAC Name: 5-amino-2-(2-naphthalen-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Traditional Name: 5-amino-2-[2-(1-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Formula: C23H18F3NOS MolecularWeight: 413.45533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC3C(=O)C(=C(S3)N)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC3C(=O)C(=C(S3)N)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H18F3NOS/c24-23(25,26)17-9-4-8-16(13-17)20-21(28)19(29-22(20)27)12-11-15-7-3-6-14-5-1-2-10-18(14)15/h1-10,13,19H,11-12,27H2