N-(2-ethyl-6-methyl-phenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)C

InChI

InChI=1S/C20H22N6OS/c1-4-11-26-19(16-12-21-9-10-22-16)24-25-20(26)28-13-17(27)23-18-14(3)7-6-8-15(18)5-2/h4,6-10,12H,1,5,11,13H2,2-3H3,(H,23,27)