2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O4S/c1-2-23-17(12-28-14-8-4-3-5-9-14)21-22-19(23)29-13-18(25)20-15-10-6-7-11-16(15)24(26)27/h3-11H,2,12-13H2,1H3,(H,20,25)