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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 2-(benzylthio)-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C20H18N4OS3 MolecularWeight: 426.57812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS3/c1-14(26-12-16-5-3-2-4-6-16)18(25)22-19-23-24-20(28-19)27-13-17-9-7-15(11-21)8-10-17/h2-10,14H,12-13H2,1H3,(H,22,23,25)