N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethynyl)benzamide

Systemtic Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethynyl)benzamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-phenylethynyl)benzamide CAS Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethynyl)benzamide IUPAC Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethynyl)benzamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-phenylethynyl)benzamide Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3OS/c1-3-18(4-2)21-24-25-22(27-21)23-20(26)19-14-12-17(13-15-19)11-10-16-8-6-5-7-9-16/h5-9,12-15,18H,3-4H2,1-2H3,(H,23,25,26)