4-(1,3-benzothiazol-2-yl)-4-oxidanyl-3,3-bis(phenylsulfanyl)cyclohexan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-4-oxidanyl-3,3-bis(phenylsulfanyl)cyclohexan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,3-bis(phenylsulfanyl)cyclohexanone CAS Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,3-bis(phenylthio)-1-cyclohexanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,3-bis(phenylsulfanyl)cyclohexan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,3-bis(phenylthio)cyclohexanone Formula: C25H21NO2S3 MolecularWeight: 463.63474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1=O)(SC2=CC=CC=C2)SC3=CC=CC=C3)(C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1CC(C(CC1=O)(SC2=CC=CC=C2)SC3=CC=CC=C3)(C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H21NO2S3/c27-18-15-16-24(28,23-26-21-13-7-8-14-22(21)29-23)25(17-18,30-19-9-3-1-4-10-19)31-20-11-5-2-6-12-20/h1-14,28H,15-17H2