2-[4-(phenylcarbonyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[4-(phenylcarbonyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-(4-benzoyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetonitrile CAS Name: 2-(4-benzoyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetonitrile IUPAC Name: 2-(4-benzoyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetonitrile Traditional Name: 2-(4-benzoyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetonitrile Formula: C11H8N4OS MolecularWeight: 244.27242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=NNC2=S)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=NNC2=S)CC#N

InChI

InChI=1S/C11H8N4OS/c12-7-6-9-13-14-11(17)15(9)10(16)8-4-2-1-3-5-8/h1-5H,6H2,(H,14,17)