1-[3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloranyl-4-nitro-phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine

Systemtic Name: 1-[3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloranyl-4-nitro-phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Openeye Name: 1-[3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloro-4-nitro-phenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: 1-[3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-chloro-4-nitrophenyl]-5-(methylthio)-1,2,4-triazol-3-amine IUPAC Name: 1-[3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-2-chloro-4-nitrophenyl]-5-methylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [1-[3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-2-chloro-4-nitro-phenyl]-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C12H12ClN9O2S2 MolecularWeight: 413.86578

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C2=C(C=CC(=C2Cl)N3C(=NC(=N3)N)SC)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)N)C2=C(C=CC(=C2Cl)N3C(=NC(=N3)N)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN9O2S2/c1-25-11-17-10(15)21(19-11)8-6(22(23)24)4-3-5(7(8)13)20-12(26-2)16-9(14)18-20/h3-4H,1-2H3,(H2,14,18)(H2,15,17,19)