3-[(diphenylphosphinothioylamino)-[3-(trifluoromethyl)phenyl]methyl]but-3-en-2-one

Systemtic Name: 3-[(diphenylphosphinothioylamino)-[3-(trifluoromethyl)phenyl]methyl]but-3-en-2-one Openeye Name: 3-[(diphenylphosphinothioylamino)-[3-(trifluoromethyl)phenyl]methyl]but-3-en-2-one CAS Name: 3-[(diphenylphosphinothioylamino)-[3-(trifluoromethyl)phenyl]methyl]-3-buten-2-one IUPAC Name: 3-[(diphenylphosphinothioylamino)-[3-(trifluoromethyl)phenyl]methyl]but-3-en-2-one Traditional Name: 3-[(diphenylthiophosphorylamino)-[3-(trifluoromethyl)phenyl]methyl]but-3-en-2-one Formula: C24H21F3NOPS MolecularWeight: 459.463611

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)C(C1=CC(=CC=C1)C(F)(F)F)NP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C(=C)C(C1=CC(=CC=C1)C(F)(F)F)NP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H21F3NOPS/c1-17(18(2)29)23(19-10-9-11-20(16-19)24(25,26)27)28-30(31,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-16,23H,1H2,2H3,(H,28,31)