5-methylsulfanyl-2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-amine

Systemtic Name: 5-methylsulfanyl-2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-amine Openeye Name: 5-methylsulfanyl-2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-amine CAS Name: 5-(methylthio)-2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-amine IUPAC Name: 5-methylsulfanyl-2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-amine Traditional Name: [5-(methylthio)-2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-yl]amine Formula: C11H9N7O2S2 MolecularWeight: 335.36486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)N)C2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H9N7O2S2/c1-21-10-13-9(12)17(16-10)11-15-14-8(22-11)6-2-4-7(5-3-6)18(19)20/h2-5H,1H3,(H2,12,13,16)