N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C18H13FN2O3S2 MolecularWeight: 388.435823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC#C

InChI

InChI=1S/C18H13FN2O3S2/c1-3-10-21-16-14(19)8-5-9-15(16)25-18(21)20-17(22)12-6-4-7-13(11-12)26(2,23)24/h1,4-9,11H,10H2,2H3