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

Systemtic Name: N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-propanamide Openeye Name: N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-propanamide CAS Name: N-[5-[(2-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide IUPAC Name: N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide Traditional Name: N-[5-[(2-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-methyl-propionamide Formula: C14H14N4OS2 MolecularWeight: 318.41716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C14H14N4OS2/c1-9(2)12(19)16-13-17-18-14(21-13)20-8-11-6-4-3-5-10(11)7-15/h3-6,9H,8H2,1-2H3,(H,16,17,19)