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

Systemtic Name: 1-(4-iodophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-iodophenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-iodophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-iodophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-iodophenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C14H10IN3OS2 MolecularWeight: 427.28317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C14H10IN3OS2/c15-10-5-3-9(4-6-10)11(19)8-21-14-16-13(17-18-14)12-2-1-7-20-12/h1-7H,8H2,(H,16,17,18)