4-tert-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4OS2/c1-21(2,3)17-10-8-16(9-11-17)18(26)23-19-24-25-20(28-19)27-13-15-6-4-14(12-22)5-7-15/h4-11H,13H2,1-3H3,(H,23,24,26)