(3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)-(6-nitro-1H-benzimidazol-2-yl)methanethiol

Systemtic Name: (3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)-(6-nitro-1H-benzimidazol-2-yl)methanethiol Openeye Name: (3-bromo-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)-(6-nitro-1H-benzimidazol-2-yl)methanethiol CAS Name: (3-bromo-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)-(6-nitro-1H-benzimidazol-2-yl)methanethiol IUPAC Name: (3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-(6-nitro-1H-benzimidazol-2-yl)methanethiol Traditional Name: (3-bromo-5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)-(6-nitro-1H-benzimidazol-2-yl)methanethiol Formula: C16H13BrN6O2S MolecularWeight: 433.28242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=C(N12)Br)C(C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])S)C

Isomeric SMILES

CC1=CC(=NC2=NC(=C(N12)Br)C(C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])S)C

InChI

InChI=1S/C16H13BrN6O2S/c1-7-5-8(2)22-14(17)12(21-16(22)18-7)13(26)15-19-10-4-3-9(23(24)25)6-11(10)20-15/h3-6,13,26H,1-2H3,(H,19,20)