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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-2-11-13-12(15-14-11)20-7-10(17)8-4-3-5-9(6-8)16(18)19/h3-6H,2,7H2,1H3,(H,13,14,15)