4-(1H-benzimidazol-2-yl)-1,3-thiazole; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1,3-thiazole; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: 4-(1H-benzimidazol-2-yl)thiazole; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: 4-(1H-benzimidazol-2-yl)thiazole; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: 4-(1H-benzimidazol-2-yl)-1,3-thiazole; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: 4-(1H-benzimidazol-2-yl)thiazole; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3

InChI

InChI=1S/C10H7N3S.C6H9N3O3/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;1-5-7-4-6(9(11)12)8(5)2-3-10/h1-6H,(H,12,13);4,10H,2-3H2,1H3