1-(1,3-benzothiazol-2-yl)-4-methyl-pentan-1-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-4-methyl-pentan-1-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-4-methyl-pentan-1-one CAS Name: 1-(1,3-benzothiazol-2-yl)-4-methyl-1-pentanone IUPAC Name: 1-(1,3-benzothiazol-2-yl)-4-methylpentan-1-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-methyl-pentan-1-one Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCC(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H15NOS/c1-9(2)7-8-11(15)13-14-10-5-3-4-6-12(10)16-13/h3-6,9H,7-8H2,1-2H3