2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one

Systemtic Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one Openeye Name: 2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one CAS Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one IUPAC Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one Traditional Name: 2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazepan-4-one Formula: C12H10F3NOS2 MolecularWeight: 305.33911

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(=S)SC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CC(=O)N(C(=S)SC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3NOS2/c13-12(14,15)8-3-1-4-9(7-8)16-10(17)5-2-6-19-11(16)18/h1,3-4,7H,2,5-6H2