2-[(E)-2-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole Openeye Name: 2-[(E)-2-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]vinyl]-5,6-dimethyl-1,3-benzothiazole CAS Name: 2-[(E)-2-[4-(4-tert-butylphenoxy)-3-nitrophenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole IUPAC Name: 2-[(E)-2-[4-(4-tert-butylphenoxy)-3-nitrophenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]vinyl]-5,6-dimethyl-1,3-benzothiazole Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CC(=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CC(=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O3S/c1-17-14-22-25(15-18(17)2)33-26(28-22)13-7-19-6-12-24(23(16-19)29(30)31)32-21-10-8-20(9-11-21)27(3,4)5/h6-16H,1-5H3/b13-7+