2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]phenoxy]acetonitrile Formula: C21H14N2OS MolecularWeight: 342.41366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C=CC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)/C=C/C4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C21H14N2OS/c22-13-14-24-17-9-5-15(6-10-17)7-12-20-23-21-18-4-2-1-3-16(18)8-11-19(21)25-20/h1-12H,14H2/b12-7+