1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]ethanone Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-3-11-13-12(15-14-11)20-10-5-4-8(7(2)17)6-9(10)16(18)19/h4-6H,3H2,1-2H3,(H,13,14,15)