6-(1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-1,3-benzothiazol-3-ium

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-1,3-benzothiazol-3-ium Openeye Name: 6-(1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-1,3-benzothiazol-3-ium CAS Name: 6-(1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-1,3-benzothiazol-3-ium IUPAC Name: 6-(1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-1,3-benzothiazol-3-ium Traditional Name: 6-(1,3-benzothiazol-2-yl)-2-methyl-3-phenyl-1,3-benzothiazol-3-ium Formula: C21H15N2S2+ MolecularWeight: 359.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H15N2S2/c1-14-23(16-7-3-2-4-8-16)18-12-11-15(13-20(18)24-14)21-22-17-9-5-6-10-19(17)25-21/h2-13H,1H3/q+1