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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-isopropylsulfonyl-benzamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-isopropylsulfonyl-benzamide Formula: C20H16F2N2O3S2 MolecularWeight: 434.479446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F2N2O3S2/c1-4-8-24-18-16(22)10-14(21)11-17(18)28-20(24)23-19(25)13-6-5-7-15(9-13)29(26,27)12(2)3/h1,5-7,9-12H,8H2,2-3H3