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

Systemtic Name: 4-methyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitro-1-pyrazolyl)methylthio]-5-phenethyl-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-phenethyl-1,2,4-triazole Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C15H16N6O2S/c1-19-14(8-7-12-5-3-2-4-6-12)17-18-15(19)24-11-20-10-13(9-16-20)21(22)23/h2-6,9-10H,7-8,11H2,1H3