N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-(trifluoromethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-(trifluoromethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-(trifluoromethyl)benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-(trifluoromethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-(trifluoromethyl)benzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-(trifluoromethyl)benzamide Formula: C21H22F3N3OS MolecularWeight: 421.47909

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C21H22F3N3OS/c1-27(17(28)15-3-2-4-16(8-15)21(22,23)24)19-26-25-18(29-19)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3