N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Formula: C18H10BrF3N2OS MolecularWeight: 439.24901

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H10BrF3N2OS/c1-2-8-24-14-7-6-13(19)10-15(14)26-17(24)23-16(25)11-4-3-5-12(9-11)18(20,21)22/h1,3-7,9-10H,8H2