2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-[(3-cyano-7-methoxy-2-quinolinyl)thio]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-[(3-cyano-7-methoxy-2-quinolyl)thio]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide Formula: C16H10F3N5O2S2 MolecularWeight: 425.40811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=NN=C(S3)C(F)(F)F)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=NN=C(S3)C(F)(F)F)C#N

InChI

InChI=1S/C16H10F3N5O2S2/c1-26-10-3-2-8-4-9(6-20)13(21-11(8)5-10)27-7-12(25)22-15-24-23-14(28-15)16(17,18)19/h2-5H,7H2,1H3,(H,22,24,25)