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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3S/c1-18(2,3)13-5-7-15(8-6-13)27-11-16-20-21-17(22(16)4)28-12-23-10-14(9-19-23)24(25)26/h5-10H,11-12H2,1-4H3