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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-butanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-butanamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-butyramide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS2/c1-14(17-5-3-2-4-6-17)11-18(25)22-19-23-24-20(27-19)26-13-16-9-7-15(12-21)8-10-16/h2-10,14H,11,13H2,1H3,(H,22,23,25)