2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3,4-dimethyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3,4-dimethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3,4-dimethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3,4-dimethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3,4-dimethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3,4-dimethyl-1,3-benzothiazol-3-ium Formula: C21H21N2S2+ MolecularWeight: 365.53484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(C=CC=C2S1)C)C)C=C3NC4=CC=CC=C4S3

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(C=CC=C2S1)C)C)/C=C\3/NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2S2/c1-4-15(12-19-22-16-9-5-6-10-17(16)24-19)13-20-23(3)21-14(2)8-7-11-18(21)25-20/h5-13H,4H2,1-3H3/p+1