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

Systemtic Name: 1-methyl-3-nitro-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole CAS Name: 1-methyl-3-nitro-5-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1,2,4-triazole IUPAC Name: 1-methyl-3-nitro-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1,2,4-triazole Formula: C11H9N7O2S MolecularWeight: 303.29986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C11H9N7O2S/c1-16-10(13-9(15-16)18(19)20)21-11-14-12-7-17(11)8-5-3-2-4-6-8/h2-7H,1H3