3-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbonitrile Openeye Name: 3-(5-acetonylsulfanyl-1,3,4-oxadiazol-2-yl)benzonitrile CAS Name: 3-[5-(2-oxopropylthio)-1,3,4-oxadiazol-2-yl]benzonitrile IUPAC Name: 3-[5-(2-oxopropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzonitrile Traditional Name: 3-[5-(acetonylthio)-1,3,4-oxadiazol-2-yl]benzonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(O1)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)CSC1=NN=C(O1)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H9N3O2S/c1-8(16)7-18-12-15-14-11(17-12)10-4-2-3-9(5-10)6-13/h2-5H,7H2,1H3