3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-hex-5-en-2-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-hex-5-en-2-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-hex-5-en-2-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-5-methyl-5-hexen-2-one IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-5-methylhex-5-en-2-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-5-methyl-hex-5-en-2-one Formula: C14H15NOS2 MolecularWeight: 277.405

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)C)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=C)CC(C(=O)C)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H15NOS2/c1-9(2)8-13(10(3)16)18-14-15-11-6-4-5-7-12(11)17-14/h4-7,13H,1,8H2,2-3H3