(E)-2-(1,3-benzothiazol-2-yl)-3-(4-hexoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-hexoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-hexoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-hexoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-hexoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-hexoxyphenyl)acrylonitrile Formula: C22H22N2OS MolecularWeight: 362.48788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2OS/c1-2-3-4-7-14-25-19-12-10-17(11-13-19)15-18(16-23)22-24-20-8-5-6-9-21(20)26-22/h5-6,8-13,15H,2-4,7,14H2,1H3/b18-15+