5-dec-9-enyl-3-[2-(4-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-dec-9-enyl-3-[2-(4-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-dec-9-enyl-3-[2-(4-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-dec-9-enyl-3-[2-(4-nitrophenoxy)ethylthio]-1H-1,2,4-triazole IUPAC Name: 5-dec-9-enyl-3-[2-(4-nitrophenoxy)ethylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-dec-9-enyl-3-[2-(4-nitrophenoxy)ethylthio]-1H-1,2,4-triazole Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC1=NC(=NN1)SCCOC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCCCCCCCCC1=NC(=NN1)SCCOC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O3S/c1-2-3-4-5-6-7-8-9-10-19-21-20(23-22-19)28-16-15-27-18-13-11-17(12-14-18)24(25)26/h2,11-14H,1,3-10,15-16H2,(H,21,22,23)