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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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