1-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-2-thienyl]ethanone CAS Name: 1-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]-2-thienyl]ethanone Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O3S/c1-6(14)8-2-7(4-17-8)3-12-5-10-9(11-12)13(15)16/h2,4-5H,3H2,1H3