5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-methoxy-3-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-methoxy-3-nitro-benzyl)thio]-1H-1,2,4-triazole Formula: C10H10N4O3S MolecularWeight: 266.2764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O3S/c1-17-9-3-2-7(4-8(9)14(15)16)5-18-10-11-6-12-13-10/h2-4,6H,5H2,1H3,(H,11,12,13)