3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(5-methyl-2-oxidanyl-phenyl)propan-1-one

Systemtic Name: 3-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(5-methyl-2-oxidanyl-phenyl)propan-1-one Openeye Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-hydroxy-5-methyl-phenyl)propan-1-one CAS Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2-hydroxy-5-methylphenyl)-1-propanone IUPAC Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-hydroxy-5-methylphenyl)propan-1-one Traditional Name: 3-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2-hydroxy-5-methyl-phenyl)propan-1-one Formula: C17H14ClNO2S2 MolecularWeight: 363.88156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)CCSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)CCSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H14ClNO2S2/c1-10-2-4-14(20)12(8-10)15(21)6-7-22-17-19-13-9-11(18)3-5-16(13)23-17/h2-5,8-9,20H,6-7H2,1H3