4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-2-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butan-2-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butan-2-one Formula: C11H11NOS2 MolecularWeight: 237.34114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H11NOS2/c1-8(13)6-7-14-11-12-9-4-2-3-5-10(9)15-11/h2-5H,6-7H2,1H3