N-(2-chloranylpyridin-3-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(N=CC=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN5OS/c1-2-13-26-17(11-10-15-7-4-3-5-8-15)24-25-20(26)28-14-18(27)23-16-9-6-12-22-19(16)21/h2-9,12H,1,10-11,13-14H2,(H,23,27)