2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-3-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-3H-1,3-benzothiazol-2-ylidenemethyl]-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C16H13IN2S2 MolecularWeight: 424.32229

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=C3NC4=CC=CC=C4S3.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/3\NC4=CC=CC=C4S3.[I-]

InChI

InChI=1S/C16H12N2S2.HI/c1-18-12-7-3-5-9-14(12)20-16(18)10-15-17-11-6-2-4-8-13(11)19-15;/h2-10H,1H3;1H