6-diazenyl-N-octyl-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-imine

Systemtic Name: 6-diazenyl-N-octyl-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-imine Openeye Name: 3-benzyl-6-diazenyl-N-octyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-imine CAS Name: 6-diazenyl-N-octyl-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-imine IUPAC Name: 3-benzyl-6-diazenyl-N-octyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-imine Traditional Name: [3-benzyl-6-diazenyl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-2-ylidene]-octyl-amine Formula: C31H46N4OS MolecularWeight: 522.78814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C1N(C2=C(S1)C=C(C(=C2)OCCC(C)CC(C)(C)C)N=N)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN=C1N(C2=C(S1)C=C(C(=C2)OCCC(C)CC(C)(C)C)N=N)CC3=CC=CC=C3

InChI

InChI=1S/C31H46N4OS/c1-6-7-8-9-10-14-18-33-30-35(23-25-15-12-11-13-16-25)27-21-28(26(34-32)20-29(27)37-30)36-19-17-24(2)22-31(3,4)5/h11-13,15-16,20-21,24,32H,6-10,14,17-19,22-23H2,1-5H3