4-butoxy-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butoxy-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-(5-mesityl-1,3,4-thiadiazol-2-yl)benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-6-11-27-18-9-7-17(8-10-18)20(26)23-22-25-24-21(28-22)19-15(3)12-14(2)13-16(19)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25,26)