3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C8H6N6O4S MolecularWeight: 282.23604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N6O4S/c9-7-10-8(12-11-7)19-6-2-1-4(13(15)16)3-5(6)14(17)18/h1-3H,(H3,9,10,11,12)