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

Systemtic Name: 4-[4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C13H13N7O2S MolecularWeight: 331.35302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C13H13N7O2S/c1-2-19-12(10-3-5-14-6-4-10)16-17-13(19)23-9-18-8-11(7-15-18)20(21)22/h3-8H,2,9H2,1H3