(3E)-6-chloranyl-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one

Systemtic Name: (3E)-6-chloranyl-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one Openeye Name: (3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)-2-thienyl]methylene]thiochroman-4-one CAS Name: (3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)-2-thiophenyl]methylidene]-1-benzothiopyran-4-one IUPAC Name: (3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylidene]thiochromen-4-one Traditional Name: (3E)-6-chloro-3-[[4-phenyl-5-(trifluoromethyl)-2-thienyl]methylene]thiochroman-4-one Formula: C21H12ClF3OS2 MolecularWeight: 436.89759

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC(=C(S2)C(F)(F)F)C3=CC=CC=C3)C(=O)C4=C(S1)C=CC(=C4)Cl

Isomeric SMILES

C1/C(=C/C2=CC(=C(S2)C(F)(F)F)C3=CC=CC=C3)/C(=O)C4=C(S1)C=CC(=C4)Cl

InChI

InChI=1S/C21H12ClF3OS2/c22-14-6-7-18-17(9-14)19(26)13(11-27-18)8-15-10-16(12-4-2-1-3-5-12)20(28-15)21(23,24)25/h1-10H,11H2/b13-8-