2-[[4-ethyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-ethyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-ethyl-5-[(E)-styryl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-ethyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-ethyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-ethyl-5-[(E)-styryl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H14N4S MolecularWeight: 270.35276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)C=CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC#N)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H14N4S/c1-2-18-13(16-17-14(18)19-11-10-15)9-8-12-6-4-3-5-7-12/h3-9H,2,11H2,1H3/b9-8+