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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-octoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-octoxyphenyl)acrylonitrile Formula: C24H26N2OS MolecularWeight: 390.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C24H26N2OS/c1-2-3-4-5-6-9-16-27-21-14-12-19(13-15-21)17-20(18-25)24-26-22-10-7-8-11-23(22)28-24/h7-8,10-15,17H,2-6,9,16H2,1H3/b20-17+