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

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-methoxy-5-nitro-benzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C10H11N5O3S MolecularWeight: 281.29104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NNC(=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NNC(=N2)N

InChI

InChI=1S/C10H11N5O3S/c1-18-8-3-2-7(15(16)17)4-6(8)5-19-10-12-9(11)13-14-10/h2-4H,5H2,1H3,(H3,11,12,13,14)