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

Systemtic Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazole IUPAC Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C13H18N6O3S MolecularWeight: 338.38542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCCO2)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC2CCCO2)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3S/c1-2-12-15-16-13(18(12)8-11-4-3-5-22-11)23-9-17-7-10(6-14-17)19(20)21/h6-7,11H,2-5,8-9H2,1H3