(2Z)-3-butyl-2-[(E)-3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole

Systemtic Name: (2Z)-3-butyl-2-[(E)-3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole Openeye Name: (2Z)-3-butyl-2-[(E)-3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole CAS Name: (2Z)-3-butyl-2-[(E)-3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole IUPAC Name: (2Z)-3-butyl-2-[(E)-3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole Traditional Name: (2Z)-3-butyl-2-[(E)-3-(3-butyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-6-methyl-1,3-benzothiazole Formula: C27H33N2S2+ MolecularWeight: 449.69432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)SC1=CC=CC3=[N+](C4=C(S3)C=C(C=C4)C)CCCC

Isomeric SMILES

CCCCN\1C2=C(C=C(C=C2)C)S/C1=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)C)CCCC

InChI

InChI=1S/C27H33N2S2/c1-5-7-16-28-22-14-12-20(3)18-24(22)30-26(28)10-9-11-27-29(17-8-6-2)23-15-13-21(4)19-25(23)31-27/h9-15,18-19H,5-8,16-17H2,1-4H3/q+1