(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-fluorophenyl)sulfanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-fluorophenyl)sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-fluorophenyl)sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(2-fluorophenyl)thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-fluorophenyl)sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(2-fluorophenyl)thio]-3-keto-valeronitrile Formula: C18H13FN2OS2 MolecularWeight: 356.437023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=CC=CC=C3F

InChI

InChI=1S/C18H13FN2OS2/c1-11(23-15-8-4-2-6-13(15)19)17(22)12(10-20)18-21-14-7-3-5-9-16(14)24-18/h2-9,11,21H,1H3/b18-12+