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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butanamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butyramide Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS2/c1-16(2,3)8-13(21)18-14-19-20-15(23-14)22-10-12-6-4-11(9-17)5-7-12/h4-7H,8,10H2,1-3H3,(H,18,19,21)