5-(1,2-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]pent-4-yn-1-ol

Systemtic Name: 5-(1,2-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]pent-4-yn-1-ol Openeye Name: 5-(1,2-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]pent-4-yn-1-ol CAS Name: 5-(1,2-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]-4-pentyn-1-ol IUPAC Name: 5-(1,2-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]pent-4-yn-1-ol Traditional Name: 5-(1,2-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]pent-4-yn-1-ol Formula: C19H14F3NOS MolecularWeight: 361.38077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCO)C#CC2=CC3=C(C=C2)C=NS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCO)C#CC2=CC3=C(C=C2)C=NS3)C(F)(F)F

InChI

InChI=1S/C19H14F3NOS/c20-19(21,22)17-7-5-14(6-8-17)15(9-10-24)3-1-13-2-4-16-12-23-25-18(16)11-13/h2,4-8,11-12,15,24H,9-10H2