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

Systemtic Name: 5-(4-methoxyphenyl)-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-[(3-methyl-5-nitro-4-imidazolyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1H-1,2,4-triazole Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NNC(=N2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NNC(=N2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3S/c1-18-7-14-11(19(20)21)12(18)23-13-15-10(16-17-13)8-3-5-9(22-2)6-4-8/h3-7H,1-2H3,(H,15,16,17)