2-[(Z)-(3-ethyl-1,3-thiazolidin-2-ylidene)methyl]-3-methyl-6-nitro-2H-1,3-benzothiazol-1-ium iodide

Systemtic Name: 2-[(Z)-(3-ethyl-1,3-thiazolidin-2-ylidene)methyl]-3-methyl-6-nitro-2H-1,3-benzothiazol-1-ium iodide Openeye Name: 2-[(Z)-(3-ethylthiazolidin-2-ylidene)methyl]-3-methyl-6-nitro-2H-1,3-benzothiazol-1-ium iodide CAS Name: 2-[(Z)-(3-ethyl-2-thiazolidinylidene)methyl]-3-methyl-6-nitro-2H-1,3-benzothiazol-1-ium iodide IUPAC Name: 2-[(Z)-(3-ethyl-1,3-thiazolidin-2-ylidene)methyl]-3-methyl-6-nitro-2H-1,3-benzothiazol-1-ium iodide Traditional Name: 2-[(Z)-(3-ethylthiazolidin-2-ylidene)methyl]-3-methyl-6-nitro-2H-1,3-benzothiazol-1-ium iodide Formula: C14H18IN3O2S2 MolecularWeight: 451.34609

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCSC1=CC2N(C3=C([SH+]2)C=C(C=C3)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CCN\1CCS/C1=C\C2N(C3=C([SH+]2)C=C(C=C3)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C14H17N3O2S2.HI/c1-3-16-6-7-20-14(16)9-13-15(2)11-5-4-10(17(18)19)8-12(11)21-13;/h4-5,8-9,13H,3,6-7H2,1-2H3;1H/b14-9-;