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

Systemtic Name: 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]aniline Openeye Name: 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]aniline CAS Name: 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]aniline IUPAC Name: 2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]aniline Traditional Name: [2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]phenyl]amine Formula: C9H9N5O2S MolecularWeight: 251.26506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O2S/c1-13-9(11-8(12-13)14(15)16)17-7-5-3-2-4-6(7)10/h2-5H,10H2,1H3