4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide

Systemtic Name: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide Openeye Name: 4,5-dihydro-1H-imidazol-2-yl-(5-isopropyl-1,3,4-thiadiazol-2-yl)-[2-(4-methoxyphenyl)-2-oxo-ethyl]ammonium iodide CAS Name: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ammonium iodide IUPAC Name: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)azanium iodide Traditional Name: 2-imidazolin-2-yl-(5-isopropyl-1,3,4-thiadiazol-2-yl)-[2-keto-2-(4-methoxyphenyl)ethyl]ammonium iodide Formula: C17H22IN5O2S MolecularWeight: 487.35835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-]

Isomeric SMILES

CC(C)C1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-]

InChI

InChI=1S/C17H21N5O2S.HI/c1-11(2)15-20-21-17(25-15)22(16-18-8-9-19-16)10-14(23)12-4-6-13(24-3)7-5-12;/h4-7,11H,8-10H2,1-3H3,(H,18,19);1H