(2E,6E)-4-(1,3-benzothiazol-2-yl)-4-oxidanyl-2,6-bis(phenylmethylidene)cyclohexan-1-one

Systemtic Name: (2E,6E)-4-(1,3-benzothiazol-2-yl)-4-oxidanyl-2,6-bis(phenylmethylidene)cyclohexan-1-one Openeye Name: (2E,6E)-4-(1,3-benzothiazol-2-yl)-2,6-dibenzylidene-4-hydroxy-cyclohexanone CAS Name: (2E,6E)-4-(1,3-benzothiazol-2-yl)-4-hydroxy-2,6-bis(phenylmethylene)-1-cyclohexanone IUPAC Name: (2E,6E)-4-(1,3-benzothiazol-2-yl)-2,6-dibenzylidene-4-hydroxycyclohexan-1-one Traditional Name: (2E,6E)-2,6-dibenzal-4-(1,3-benzothiazol-2-yl)-4-hydroxy-cyclohexanone Formula: C27H21NO2S MolecularWeight: 423.52614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CC1(C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C\1C(C/C(=C\C2=CC=CC=C2)/C(=O)/C1=C/C3=CC=CC=C3)(O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21NO2S/c29-25-21(15-19-9-3-1-4-10-19)17-27(30,18-22(25)16-20-11-5-2-6-12-20)26-28-23-13-7-8-14-24(23)31-26/h1-16,30H,17-18H2/b21-15+,22-16+