5-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H13FN6OS2 MolecularWeight: 400.453123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C17H13FN6OS2/c1-9-13(7-19)16(21-10(2)20-9)26-8-14-23-24-17(27-14)15(25)22-12-5-3-11(18)4-6-12/h3-6H,8H2,1-2H3,(H,22,25)