2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-5-nitropyridine IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-5-nitro-pyridine Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O2S/c1-11(2,3)9-13-10(15-14-9)19-8-5-4-7(6-12-8)16(17)18/h4-6H,1-3H3,(H,13,14,15)