(4S)-6-chloranyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione

Systemtic Name: (4S)-6-chloranyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione Openeye Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione CAS Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione Traditional Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione Formula: C14H9ClF3NOS MolecularWeight: 331.74057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)O2)C(F)(F)F

Isomeric SMILES

C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=S)O2)C(F)(F)F

InChI

InChI=1S/C14H9ClF3NOS/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,21)/t13-/m0/s1