2-[7-(1,3-benzothiazol-2-yl)-1,3-ditert-butyl-azulen-5-yl]-1,3-benzothiazole

Systemtic Name: 2-[7-(1,3-benzothiazol-2-yl)-1,3-ditert-butyl-azulen-5-yl]-1,3-benzothiazole Openeye Name: 2-[7-(1,3-benzothiazol-2-yl)-1,3-ditert-butyl-azulen-5-yl]-1,3-benzothiazole CAS Name: 2-[7-(1,3-benzothiazol-2-yl)-1,3-ditert-butyl-5-azulenyl]-1,3-benzothiazole IUPAC Name: 2-[7-(1,3-benzothiazol-2-yl)-1,3-ditert-butylazulen-5-yl]-1,3-benzothiazole Traditional Name: 2-[7-(1,3-benzothiazol-2-yl)-1,3-ditert-butyl-azulen-5-yl]-1,3-benzothiazole Formula: C32H30N2S2 MolecularWeight: 506.724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C1=CC(=CC(=C2)C3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6S5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C1=CC(=CC(=C2)C3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6S5)C(C)(C)C

InChI

InChI=1S/C32H30N2S2/c1-31(2,3)23-18-24(32(4,5)6)22-17-20(30-34-26-12-8-10-14-28(26)36-30)15-19(16-21(22)23)29-33-25-11-7-9-13-27(25)35-29/h7-18H,1-6H3