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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(3-nitrophenyl)pyridin-4-ylidene]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(3-nitrophenyl)-4-pyridylidene]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(3-nitrophenyl)-4-pyridinylidene]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(3-nitrophenyl)pyridin-4-ylidene]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(3-nitrophenyl)-4-pyridylidene]acetonitrile Formula: C22H16N4O2S MolecularWeight: 400.45304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H16N4O2S/c1-14-10-16(19(13-23)22-24-20-8-3-4-9-21(20)29-22)11-15(2)25(14)17-6-5-7-18(12-17)26(27)28/h3-12H,1-2H3