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

Systemtic Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C11H14N6O2S MolecularWeight: 294.33286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O2S/c1-3-5-16-10(4-2)13-14-11(16)20-8-15-7-9(6-12-15)17(18)19/h3,6-7H,1,4-5,8H2,2H3