2-[(3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole

Systemtic Name: 2-[(3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole Openeye Name: 2-[(3-bromo-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole CAS Name: 2-[(3-bromo-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-5-nitro-1,3-benzoxazole IUPAC Name: 2-[(3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-nitro-1,3-benzoxazole Traditional Name: 2-[(3-bromo-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)methylthio]-5-nitro-1,3-benzoxazole Formula: C16H12BrN5O3S MolecularWeight: 434.26718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C16H12BrN5O3S/c1-8-5-9(2)21-14(17)12(19-15(21)18-8)7-26-16-20-11-6-10(22(23)24)3-4-13(11)25-16/h3-6H,7H2,1-2H3