1-(2-methyl-1,3-benzothiazol-5-yl)butan-1-one

Systemtic Name: 1-(2-methyl-1,3-benzothiazol-5-yl)butan-1-one Openeye Name: 1-(2-methyl-1,3-benzothiazol-5-yl)butan-1-one CAS Name: 1-(2-methyl-1,3-benzothiazol-5-yl)-1-butanone IUPAC Name: 1-(2-methyl-1,3-benzothiazol-5-yl)butan-1-one Traditional Name: 1-(2-methyl-1,3-benzothiazol-5-yl)butan-1-one Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)SC(=N2)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)SC(=N2)C

InChI

InChI=1S/C12H13NOS/c1-3-4-11(14)9-5-6-12-10(7-9)13-8(2)15-12/h5-7H,3-4H2,1-2H3