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

Systemtic Name: N-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-butanamide Openeye Name: N-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-butanamide CAS Name: N-[5-[(3-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide IUPAC Name: N-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide Traditional Name: N-[5-[(3-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-butyramide Formula: C15H16N4OS2 MolecularWeight: 332.44374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CC(=O)NC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H16N4OS2/c1-10(2)6-13(20)17-14-18-19-15(22-14)21-9-12-5-3-4-11(7-12)8-16/h3-5,7,10H,6,9H2,1-2H3,(H,17,18,20)