2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[4-[4-(1-imidazolyl)butoxy]phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]vinyl]-1,3-benzothiazole Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC3=CC=C(C=C3)OCCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C3=CC=C(C=C3)OCCCCN4C=CN=C4

InChI

InChI=1S/C22H21N3OS/c1-2-6-21-20(5-1)24-22(27-21)12-9-18-7-10-19(11-8-18)26-16-4-3-14-25-15-13-23-17-25/h1-2,5-13,15,17H,3-4,14,16H2/b12-9+