3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole

Systemtic Name: 3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole Openeye Name: 3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole CAS Name: 3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole IUPAC Name: 3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole Traditional Name: 3-butyl-2-[3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole Formula: C26H31N2S2+ MolecularWeight: 435.66774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCC)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCC)C

InChI

InChI=1S/C26H31N2S2/c1-4-6-16-27-21-12-8-10-14-23(21)29-25(27)18-20(3)19-26-28(17-7-5-2)22-13-9-11-15-24(22)30-26/h8-15,18-19H,4-7,16-17H2,1-3H3/q+1