N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Formula: C18H15F3N2OS2 MolecularWeight: 396.44971

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2OS2/c1-25-10-9-23-14-7-2-3-8-15(14)26-17(23)22-16(24)12-5-4-6-13(11-12)18(19,20)21/h2-8,11H,9-10H2,1H3