6-chloranyl-3-methyl-2-[(E,3Z)-3-[4-methyl-3-(phenylmethyl)-1,3-thiazol-2-ylidene]prop-1-enyl]-1,3-benzoxazol-3-ium iodide

Systemtic Name: 6-chloranyl-3-methyl-2-[(E,3Z)-3-[4-methyl-3-(phenylmethyl)-1,3-thiazol-2-ylidene]prop-1-enyl]-1,3-benzoxazol-3-ium iodide Openeye Name: 2-[(E,3Z)-3-(3-benzyl-4-methyl-thiazol-2-ylidene)prop-1-enyl]-6-chloro-3-methyl-1,3-benzoxazol-3-ium iodide CAS Name: 6-chloro-3-methyl-2-[(E,3Z)-3-[4-methyl-3-(phenylmethyl)-2-thiazolylidene]prop-1-enyl]-1,3-benzoxazol-3-ium iodide IUPAC Name: 2-[(E,3Z)-3-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)prop-1-enyl]-6-chloro-3-methyl-1,3-benzoxazol-3-ium iodide Traditional Name: 2-[(E,3Z)-3-(3-benzyl-4-methyl-4-thiazolin-2-ylidene)prop-1-enyl]-6-chloro-3-methyl-1,3-benzoxazol-3-ium iodide Formula: C22H20ClIN2OS MolecularWeight: 522.82947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=CC=CC2=[N+](C3=C(O2)C=C(C=C3)Cl)C)N1CC4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=CS/C(=C\C=C\C2=[N+](C3=C(O2)C=C(C=C3)Cl)C)/N1CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H20ClN2OS.HI/c1-16-15-27-22(25(16)14-17-7-4-3-5-8-17)10-6-9-21-24(2)19-12-11-18(23)13-20(19)26-21;/h3-13,15H,14H2,1-2H3;1H/q+1;/p-1