3-(2-chloranyl-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-chloro-4-nitro-phenyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C8H6ClN5O2S MolecularWeight: 271.68354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)SC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)SC2=NNC(=N2)N

InChI

InChI=1S/C8H6ClN5O2S/c9-5-3-4(14(15)16)1-2-6(5)17-8-11-7(10)12-13-8/h1-3H,(H3,10,11,12,13)