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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C16H13BrN6O2S/c1-8-5-9(2)22-14(17)13(19-15(22)18-8)7-26-16-20-11-4-3-10(23(24)25)6-12(11)21-16/h3-6H,7H2,1-2H3,(H,20,21)