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

Systemtic Name: 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-3-16-8-14-15-13(16)21-7-12(18)10-5-4-9(2)11(6-10)17(19)20/h4-6,8H,3,7H2,1-2H3