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

Systemtic Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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