2-azanyl-1-(1-benzothiophen-3-yl)-5-[3,5-bis(trifluoromethyl)phenyl]pentan-3-one

Systemtic Name: 2-azanyl-1-(1-benzothiophen-3-yl)-5-[3,5-bis(trifluoromethyl)phenyl]pentan-3-one Openeye Name: 2-amino-1-(benzothiophen-3-yl)-5-[3,5-bis(trifluoromethyl)phenyl]pentan-3-one CAS Name: 2-amino-1-(1-benzothiophen-3-yl)-5-[3,5-bis(trifluoromethyl)phenyl]-3-pentanone IUPAC Name: 2-amino-1-(1-benzothiophen-3-yl)-5-[3,5-bis(trifluoromethyl)phenyl]pentan-3-one Traditional Name: 2-amino-1-(benzothiophen-3-yl)-5-[3,5-bis(trifluoromethyl)phenyl]pentan-3-one Formula: C21H17F6NOS MolecularWeight: 445.421199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

InChI

InChI=1S/C21H17F6NOS/c22-20(23,24)14-7-12(8-15(10-14)21(25,26)27)5-6-18(29)17(28)9-13-11-30-19-4-2-1-3-16(13)19/h1-4,7-8,10-11,17H,5-6,9,28H2