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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-dodecoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-dodecoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-dodecoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-dodecoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-lauryloxyphenyl)acrylonitrile Formula: C28H34N2OS MolecularWeight: 446.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C28H34N2OS/c1-2-3-4-5-6-7-8-9-10-13-20-31-25-18-16-23(17-19-25)21-24(22-29)28-30-26-14-11-12-15-27(26)32-28/h11-12,14-19,21H,2-10,13,20H2,1H3/b24-21+