2-[[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(3-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(3-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-propyl-acetamide Formula: C15H16N4OS3 MolecularWeight: 364.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H16N4OS3/c1-2-6-17-13(20)10-22-15-19-18-14(23-15)21-9-12-5-3-4-11(7-12)8-16/h3-5,7H,2,6,9-10H2,1H3,(H,17,20)