2-(1,3-benzothiazol-2-yl)-3-(2-iodanylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(2-iodanylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(2-iodophenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(2-iodophenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(2-iodophenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(2-iodophenyl)-3-keto-propionitrile Formula: C16H9IN2OS MolecularWeight: 404.22493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)I

InChI

InChI=1S/C16H9IN2OS/c17-12-6-2-1-5-10(12)15(20)11(9-18)16-19-13-7-3-4-8-14(13)21-16/h1-8,11H