6-nitro-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(2,3,4,5,6-pentamethylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[(2,3,4,5,6-pentamethylbenzyl)thio]-1,3-benzothiazole Formula: C19H20N2O2S2 MolecularWeight: 372.5043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H20N2O2S2/c1-10-11(2)13(4)16(14(5)12(10)3)9-24-19-20-17-7-6-15(21(22)23)8-18(17)25-19/h6-8H,9H2,1-5H3