5-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methyl-3-nitro-1,2,4-triazole

Systemtic Name: 5-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methyl-3-nitro-1,2,4-triazole Openeye Name: 5-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methyl-3-nitro-1,2,4-triazole CAS Name: 5-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-methyl-3-nitro-1,2,4-triazole IUPAC Name: 5-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-methyl-3-nitro-1,2,4-triazole Traditional Name: 5-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-methyl-3-nitro-1,2,4-triazole Formula: C12H11N7O3S MolecularWeight: 333.32584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NNC(=N2)C3=CC=CC=C3OC

InChI

InChI=1S/C12H11N7O3S/c1-18-12(14-10(17-18)19(20)21)23-11-13-9(15-16-11)7-5-3-4-6-8(7)22-2/h3-6H,1-2H3,(H,13,15,16)