(2S)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one

Systemtic Name: (2S)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(p-tolyl)propan-1-one Formula: C17H14ClNOS2 MolecularWeight: 347.88216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H14ClNOS2/c1-10-3-5-12(6-4-10)16(20)11(2)21-17-19-14-9-13(18)7-8-15(14)22-17/h3-9,11H,1-2H3/t11-/m0/s1