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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylthio)butyramide Formula: C21H18F2N2OS2 MolecularWeight: 416.507226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

InChI

InChI=1S/C21H18F2N2OS2/c1-3-10-25-20-17(23)12-15(22)13-18(20)28-21(25)24-19(26)5-4-11-27-16-8-6-14(2)7-9-16/h1,6-9,12-13H,4-5,10-11H2,2H3