2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H14N4OS MolecularWeight: 274.34146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC#N)C2=CC=CC=C2

Isomeric SMILES

COCCN1C(=NN=C1SCC#N)C2=CC=CC=C2

InChI

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