1-(4-iodophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-iodophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-iodophenyl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-iodophenyl)-2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-iodophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-iodophenyl)-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C15H16IN3O2S2 MolecularWeight: 461.34091

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C15H16IN3O2S2/c16-11-5-3-10(4-6-11)13(20)9-22-15-19-18-14(23-15)17-8-12-2-1-7-21-12/h3-6,12H,1-2,7-9H2,(H,17,18)