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

Systemtic Name: 3-[(2,4-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(2,4-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2,4-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(2,4-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(2,4-dimethylphenoxy)methyl]-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O3S/c1-11-4-5-14(12(2)6-11)25-9-15-18-19-16(20(15)3)26-10-21-8-13(7-17-21)22(23)24/h4-8H,9-10H2,1-3H3