3-ethyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-ethyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-ethyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-ethyl-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-ethyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-ethyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C9H12N6O2S MolecularWeight: 268.29558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C)SCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C)SCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O2S/c1-3-8-11-12-9(13(8)2)18-6-14-5-7(4-10-14)15(16)17/h4-5H,3,6H2,1-2H3