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

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-isopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-4-(2-oxolanylmethyl)-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-isopropyl-5-[(4-nitropyrazol-1-yl)methylthio]-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C14H20N6O3S MolecularWeight: 352.412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2CCCO2)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1CC2CCCO2)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H20N6O3S/c1-10(2)13-16-17-14(19(13)8-12-4-3-5-23-12)24-9-18-7-11(6-15-18)20(21)22/h6-7,10,12H,3-5,8-9H2,1-2H3