3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C13H14N4OS MolecularWeight: 274.34146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN=C1SCC2=CC=CC(=C2)C#N

Isomeric SMILES

COCCN1C=NN=C1SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14N4OS/c1-18-6-5-17-10-15-16-13(17)19-9-12-4-2-3-11(7-12)8-14/h2-4,7,10H,5-6,9H2,1H3