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

Systemtic Name: 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C17H16N4O3S2/c1-2-20-16(10-14-4-3-9-25-14)18-19-17(20)26-11-15(22)12-5-7-13(8-6-12)21(23)24/h3-9H,2,10-11H2,1H3