4-(1,3-benzothiazol-2-yl)-4-oxidanyl-5-phenylsulfanyl-cyclohex-2-en-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-4-oxidanyl-5-phenylsulfanyl-cyclohex-2-en-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-5-phenylsulfanyl-cyclohex-2-en-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-5-(phenylthio)-1-cyclohex-2-enone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-5-phenylsulfanylcyclohex-2-en-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-5-(phenylthio)cyclohex-2-en-1-one Formula: C19H15NO2S2 MolecularWeight: 353.4579

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C=CC1=O)(C2=NC3=CC=CC=C3S2)O)SC4=CC=CC=C4

Isomeric SMILES

C1C(C(C=CC1=O)(C2=NC3=CC=CC=C3S2)O)SC4=CC=CC=C4

InChI

InChI=1S/C19H15NO2S2/c21-13-10-11-19(22,17(12-13)23-14-6-2-1-3-7-14)18-20-15-8-4-5-9-16(15)24-18/h1-11,17,22H,12H2