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

Systemtic Name: 2-[[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)ethanamide Openeye Name: 2-[[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide CAS Name: 2-[[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)acetamide IUPAC Name: 2-[[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide Traditional Name: 2-[[5-(2-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c24-16(19-10-11-27-13-6-2-1-3-7-13)12-28-18-20-17(21-22-18)14-8-4-5-9-15(14)23(25)26/h1-9H,10-12H2,(H,19,24)(H,20,21,22)