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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN2C=NN=C2SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CSC(=C1)CCN2C=NN=C2SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H14IN3OS2/c17-13-5-3-12(4-6-13)15(21)10-23-16-19-18-11-20(16)8-7-14-2-1-9-22-14/h1-6,9,11H,7-8,10H2