8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]quinoline

Systemtic Name: 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]quinoline Openeye Name: 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]quinoline CAS Name: 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline IUPAC Name: 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]quinoline Traditional Name: 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C12H9N5O2S/c1-16-12(14-11(15-16)17(18)19)20-9-6-2-4-8-5-3-7-13-10(8)9/h2-7H,1H3