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

Systemtic Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-3-6-14-16-17-15(18(14)4-2)23-10-13(20)11-7-5-8-12(9-11)19(21)22/h5,7-9H,3-4,6,10H2,1-2H3