2-(1,3-benzothiazol-2-yl)-3-(4-iodophenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-iodophenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-iodophenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-iodophenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-iodophenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-iodophenyl)-3-keto-propionitrile Formula: C16H9IN2OS MolecularWeight: 404.22493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=O)C3=CC=C(C=C3)I

InChI

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