2-[(E,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-pent-1-enyl]-3-ethyl-2H-1,3-benzothiazole bromide

Systemtic Name: 2-[(E,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-pent-1-enyl]-3-ethyl-2H-1,3-benzothiazole bromide Openeye Name: 2-[(E,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-pent-1-enyl]-3-ethyl-2H-1,3-benzothiazole bromide CAS Name: 2-[(E,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-2-methylpent-1-enyl]-3-ethyl-2H-1,3-benzothiazole bromide IUPAC Name: 2-[(E,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-2-methylpent-1-enyl]-3-ethyl-2H-1,3-benzothiazole bromide Traditional Name: 2-[(E,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-2-methyl-pent-1-enyl]-3-ethyl-2H-1,3-benzothiazole bromide Formula: C22H24BrN2S2- MolecularWeight: 460.47336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1NC2=CC=CC=C2S1)C(=CC3N(C4=CC=CC=C4S3)CC)C.[Br-]

Isomeric SMILES

CC/C(=C\1/NC2=CC=CC=C2S1)/C(=C/C3N(C4=CC=CC=C4S3)CC)/C.[Br-]

InChI

InChI=1S/C22H24N2S2.BrH/c1-4-16(22-23-17-10-6-8-12-19(17)26-22)15(3)14-21-24(5-2)18-11-7-9-13-20(18)25-21;/h6-14,21,23H,4-5H2,1-3H3;1H/p-1/b15-14+,22-16+;