2-[1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-pyridin-4-ylidene]-2-(1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-pyridin-4-ylidene]-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-4-pyridylidene]-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethyl-4-pyridinylidene]-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylpyridin-4-ylidene]-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethyl-1-piperonyl-4-pyridylidene)acetonitrile Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H19N3O2S/c1-15-9-18(19(12-25)24-26-20-5-3-4-6-23(20)30-24)10-16(2)27(15)13-17-7-8-21-22(11-17)29-14-28-21/h3-11H,13-14H2,1-2H3