4-(1,3-benzothiazol-2-yl)-4-oxidanyl-3,5-bis(phenylsulfanyl)cyclohexan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-4-oxidanyl-3,5-bis(phenylsulfanyl)cyclohexan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,5-bis(phenylsulfanyl)cyclohexanone CAS Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,5-bis(phenylthio)-1-cyclohexanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,5-bis(phenylsulfanyl)cyclohexan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-3,5-bis(phenylthio)cyclohexanone Formula: C25H21NO2S3 MolecularWeight: 463.63474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1=O)SC2=CC=CC=C2)(C3=NC4=CC=CC=C4S3)O)SC5=CC=CC=C5

Isomeric SMILES

C1C(C(C(CC1=O)SC2=CC=CC=C2)(C3=NC4=CC=CC=C4S3)O)SC5=CC=CC=C5

InChI

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