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

Systemtic Name: 4-methyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitro-1-pyrazolyl)methylthio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-benzyl-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C14H14N6O2S/c1-18-13(7-11-5-3-2-4-6-11)16-17-14(18)23-10-19-9-12(8-15-19)20(21)22/h2-6,8-9H,7,10H2,1H3