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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C#N

InChI

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