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

Systemtic Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-1,3-benzothiazol-3-ium Formula: C22H23N2S2+ MolecularWeight: 379.56142

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC2=CC=CC=C21)C=C(CC)C=C3NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2S2/c1-3-13-24-18-10-6-8-12-20(18)26-22(24)15-16(4-2)14-21-23-17-9-5-7-11-19(17)25-21/h5-12,14-15H,3-4,13H2,1-2H3/p+1