(Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1H-1,2,4-triazol-5-yl)hex-2-enenitrile

Systemtic Name: (Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1H-1,2,4-triazol-5-yl)hex-2-enenitrile Openeye Name: (Z)-4-ethyl-3-(p-tolylsulfonyl)-2-(1H-1,2,4-triazol-5-yl)hex-2-enenitrile CAS Name: (Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1H-1,2,4-triazol-5-yl)-2-hexenenitrile IUPAC Name: (Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1H-1,2,4-triazol-5-yl)hex-2-enenitrile Traditional Name: (Z)-4-ethyl-3-tosyl-2-(1H-1,2,4-triazol-5-yl)hex-2-enenitrile Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=C(C#N)C1=NC=NN1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)/C(=C(\C#N)/C1=NC=NN1)/S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N4O2S/c1-4-13(5-2)16(15(10-18)17-19-11-20-21-17)24(22,23)14-8-6-12(3)7-9-14/h6-9,11,13H,4-5H2,1-3H3,(H,19,20,21)/b16-15-