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

Systemtic Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-ethyl-4-isopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-ethyl-4-isopropyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C11H16N6O2S MolecularWeight: 296.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N6O2S/c1-4-10-13-14-11(16(10)8(2)3)20-7-15-6-9(5-12-15)17(18)19/h5-6,8H,4,7H2,1-3H3