2-[(4-bromanyl-2,3,5,6-tetramethyl-phenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-bromanyl-2,3,5,6-tetramethyl-phenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-bromo-2,3,5,6-tetramethyl-phenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-bromo-2,3,5,6-tetramethylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-bromo-2,3,5,6-tetramethylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-bromo-2,3,5,6-tetramethyl-benzyl)thio]-1,3-benzothiazole Formula: C18H18BrNS2 MolecularWeight: 392.37622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CSC2=NC3=CC=CC=C3S2)C)C)Br)C

Isomeric SMILES

CC1=C(C(=C(C(=C1CSC2=NC3=CC=CC=C3S2)C)C)Br)C

InChI

InChI=1S/C18H18BrNS2/c1-10-12(3)17(19)13(4)11(2)14(10)9-21-18-20-15-7-5-6-8-16(15)22-18/h5-8H,9H2,1-4H3