2-[4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-[4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C12H11N7O2S/c1-17-11(10-4-2-3-5-13-10)15-16-12(17)22-8-18-7-9(6-14-18)19(20)21/h2-7H,8H2,1H3