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

Systemtic Name: 1-(4-iodophenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-iodophenyl)-2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-iodophenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-iodophenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-iodophenyl)-2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H16IN3OS2 MolecularWeight: 433.33081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H16IN3OS2/c1-9(2)7-16-13-17-18-14(21-13)20-8-12(19)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,17)