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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[1-(4-bromophenyl)-2,6-dimethyl-pyridin-4-ylidene]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[1-(4-bromophenyl)-2,6-dimethyl-4-pyridylidene]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[1-(4-bromophenyl)-2,6-dimethyl-4-pyridinylidene]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[1-(4-bromophenyl)-2,6-dimethylpyridin-4-ylidene]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[1-(4-bromophenyl)-2,6-dimethyl-4-pyridylidene]acetonitrile Formula: C22H16BrN3S MolecularWeight: 434.35154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H16BrN3S/c1-14-11-16(12-15(2)26(14)18-9-7-17(23)8-10-18)19(13-24)22-25-20-5-3-4-6-21(20)27-22/h3-12H,1-2H3