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

Systemtic Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-3-13-15-16-14(17(13)4-2)22-9-12(19)10-5-7-11(8-6-10)18(20)21/h5-8H,3-4,9H2,1-2H3