3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C8H11N7O2S MolecularWeight: 269.28364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSC2=NN=CN2N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSC2=NN=CN2N)C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N7O2S/c1-5-7(15(16)17)6(2)14(12-5)4-18-8-11-10-3-13(8)9/h3H,4,9H2,1-2H3