N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C17H23N5O4S MolecularWeight: 393.46062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C17H23N5O4S/c1-4-5-6-7-21-11-18-20-17(21)27-10-16(23)19-13-9-15(26-3)14(22(24)25)8-12(13)2/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)