3-ethylsulfonyl-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-ethylsulfonyl-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-ethylsulfonyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-ethylsulfonyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-ethylsulfonyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-esyl-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H15FN2O3S2 MolecularWeight: 402.462403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN2O3S2/c1-3-11-22-17-15(20)9-6-10-16(17)26-19(22)21-18(23)13-7-5-8-14(12-13)27(24,25)4-2/h1,5-10,12H,4,11H2,2H3