4-[5-(3-cyanopropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide

Systemtic Name: 4-[5-(3-cyanopropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide Openeye Name: 4-[5-(3-cyanopropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide CAS Name: 4-[5-(3-cyanopropylthio)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide IUPAC Name: 4-[5-(3-cyanopropylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide Traditional Name: 4-[5-(3-cyanopropylthio)-1,3,4-oxadiazol-2-yl]thiobenzamide Formula: C13H12N4OS2 MolecularWeight: 304.39058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)SCCCC#N)C(=S)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)SCCCC#N)C(=S)N

InChI

InChI=1S/C13H12N4OS2/c14-7-1-2-8-20-13-17-16-12(18-13)10-5-3-9(4-6-10)11(15)19/h3-6H,1-2,8H2,(H2,15,19)