5-(1,2-benzothiazol-6-yl)-3-(4-bromophenyl)pent-4-yn-1-ol

Systemtic Name: 5-(1,2-benzothiazol-6-yl)-3-(4-bromophenyl)pent-4-yn-1-ol Openeye Name: 5-(1,2-benzothiazol-6-yl)-3-(4-bromophenyl)pent-4-yn-1-ol CAS Name: 5-(1,2-benzothiazol-6-yl)-3-(4-bromophenyl)-4-pentyn-1-ol IUPAC Name: 5-(1,2-benzothiazol-6-yl)-3-(4-bromophenyl)pent-4-yn-1-ol Traditional Name: 5-(1,2-benzothiazol-6-yl)-3-(4-bromophenyl)pent-4-yn-1-ol Formula: C18H14BrNOS MolecularWeight: 372.27886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNOS/c19-17-7-5-14(6-8-17)15(9-10-21)3-1-13-2-4-16-12-20-22-18(16)11-13/h2,4-8,11-12,15,21H,9-10H2