(E)-2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hex-4-enenitrile

Systemtic Name: (E)-2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hex-4-enenitrile Openeye Name: (E)-2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hex-4-enenitrile CAS Name: (E)-2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4-hexenenitrile IUPAC Name: (E)-2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hex-4-enenitrile Traditional Name: (E)-2-o-phenetyl-2-(1,2,4-triazol-1-ylmethyl)hex-4-enenitrile Formula: C17H20N4O MolecularWeight: 296.3669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(CC=CC)(CN2C=NC=N2)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C(C/C=C/C)(CN2C=NC=N2)C#N

InChI

InChI=1S/C17H20N4O/c1-3-5-10-17(11-18,12-21-14-19-13-20-21)15-8-6-7-9-16(15)22-4-2/h3,5-9,13-14H,4,10,12H2,1-2H3/b5-3+