N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butanamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butyramide Formula: C20H16F2N2OS2 MolecularWeight: 402.480646

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)CCCSC3=CC=CC=C3)F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)CCCSC3=CC=CC=C3)F)F

InChI

InChI=1S/C20H16F2N2OS2/c1-2-10-24-19-16(22)12-14(21)13-17(19)27-20(24)23-18(25)9-6-11-26-15-7-4-3-5-8-15/h1,3-5,7-8,12-13H,6,9-11H2