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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N5O4S/c1-11(17(24)19-13-5-7-14(8-6-13)23(25)26)28-18-20-16(21-22-18)12-3-9-15(27-2)10-4-12/h3-11H,1-2H3,(H,19,24)(H,20,21,22)