N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-tert-butyl-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-tert-butyl-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-tert-butyl-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-tert-butyl-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H18F2N2OS MolecularWeight: 384.442226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F2N2OS/c1-5-10-25-18-16(23)11-15(22)12-17(18)27-20(25)24-19(26)13-6-8-14(9-7-13)21(2,3)4/h1,6-9,11-12H,10H2,2-4H3