2-(5-ethyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)-1-(4-nitrophenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)N(N1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=S)N(N1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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