4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one

Systemtic Name: 4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one Openeye Name: 4-(4-phenylthiazol-2-yl)sulfanylbutan-2-one CAS Name: 4-[(4-phenyl-2-thiazolyl)thio]-2-butanone IUPAC Name: 4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]butan-2-one Traditional Name: 4-[(4-phenylthiazol-2-yl)thio]butan-2-one Formula: C13H13NOS2 MolecularWeight: 263.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCSC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NOS2/c1-10(15)7-8-16-13-14-12(9-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3