3-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one iodide

Systemtic Name: 3-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one iodide Openeye Name: 3-[(Z)-(3-ethyl-4,5-diphenyl-thiazol-2-ylidene)methyl]thiazol-3-ium-4-one iodide CAS Name: 3-[(Z)-(3-ethyl-4,5-diphenyl-2-thiazolylidene)methyl]-4-thiazol-3-iumone iodide IUPAC Name: 3-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one iodide Traditional Name: 3-[(Z)-(3-ethyl-4,5-diphenyl-4-thiazolin-2-ylidene)methyl]-2-thiazolin-3-ium-4-one iodide Formula: C21H19IN2OS2 MolecularWeight: 506.42283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C[N+]2=CSCC2=O)SC(=C1C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCN1/C(=C/[N+]2=CSCC2=O)/SC(=C1C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H19N2OS2.HI/c1-2-23-19(13-22-15-25-14-18(22)24)26-21(17-11-7-4-8-12-17)20(23)16-9-5-3-6-10-16;/h3-13,15H,2,14H2,1H3;1H/q+1;/p-1/b19-13-;