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

Systemtic Name: 3-cyclohexyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclohexyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclohexyl-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-cyclohexyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclohexyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C13H18N6O2S/c1-17-12(10-5-3-2-4-6-10)15-16-13(17)22-9-18-8-11(7-14-18)19(20)21/h7-8,10H,2-6,9H2,1H3