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

Systemtic Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=CC4=CC=CC=C43)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=CC4=CC=CC=C43)OCC#N

InChI

InChI=1S/C22H16N2O2S/c1-25-19-14-15(6-9-18(19)26-13-12-23)7-11-21-24-22-17-5-3-2-4-16(17)8-10-20(22)27-21/h2-11,14H,13H2,1H3/b11-7+