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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-iodophenyl)ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-iodophenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-iodophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-iodophenyl)ethanone Formula: C16H14IN3OS2 MolecularWeight: 455.33633

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)I)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)I)C3=CC=CS3

InChI

InChI=1S/C16H14IN3OS2/c1-2-20-15(14-4-3-9-22-14)18-19-16(20)23-10-13(21)11-5-7-12(17)8-6-11/h3-9H,2,10H2,1H3