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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Formula: C19H13F3N2O3S2 MolecularWeight: 438.44333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CC#C

InChI

InChI=1S/C19H13F3N2O3S2/c1-3-9-24-15-8-7-14(29(2,26)27)11-16(15)28-18(24)23-17(25)12-5-4-6-13(10-12)19(20,21)22/h1,4-8,10-11H,9H2,2H3