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

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C13H15N5O4S MolecularWeight: 337.3543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15N5O4S/c1-3-11-15-13(17-16-11)23-7-12(19)14-9-5-4-8(18(20)21)6-10(9)22-2/h4-6H,3,7H2,1-2H3,(H,14,19)(H,15,16,17)