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

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C12H10N6O2S MolecularWeight: 302.3118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O2S/c1-17-7-13-10(18(19)20)11(17)21-12-14-9(15-16-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,16)