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

Systemtic Name: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]azanium iodide Openeye Name: 4,5-dihydro-1H-imidazol-2-yl-(5-isobutyl-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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ammonium iodide IUPAC Name: 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]azanium iodide Traditional Name: 2-imidazolin-2-yl-(5-isobutyl-1,3,4-thiadiazol-2-yl)-[2-keto-2-(4-methoxyphenyl)ethyl]ammonium iodide Formula: C18H24IN5O2S MolecularWeight: 501.38493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-]

InChI

InChI=1S/C18H23N5O2S.HI/c1-12(2)10-16-21-22-18(26-16)23(17-19-8-9-20-17)11-15(24)13-4-6-14(25-3)7-5-13;/h4-7,12H,8-11H2,1-3H3,(H,19,20);1H