2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-5-nitropyridine IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C14H12N6O2S/c1-2-19-13(10-5-7-15-8-6-10)17-18-14(19)23-12-4-3-11(9-16-12)20(21)22/h3-9H,2H2,1H3