N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide Openeye Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide CAS Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide IUPAC Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide Traditional Name: N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide Formula: C18H12F3N3O3S2 MolecularWeight: 439.43139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3N3O3S2/c1-2-9-24-14-8-7-13(29(22,26)27)10-15(14)28-17(24)23-16(25)11-3-5-12(6-4-11)18(19,20)21/h1,3-8,10H,9H2,(H2,22,26,27)