2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C12H12N4S MolecularWeight: 244.31548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=CC=C2C#N

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C12H12N4S/c1-2-11-14-12(16-15-11)17-8-10-6-4-3-5-9(10)7-13/h3-6H,2,8H2,1H3,(H,14,15,16)