6-methoxy-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1H-benzimidazole

Systemtic Name: 6-methoxy-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1H-benzimidazole Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole CAS Name: 6-methoxy-2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-1H-benzimidazole IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-6-methoxy-1H-benzimidazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-6-methoxy-1H-benzimidazole Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3S/c1-12-20-17(24(25)26)18(23(12)11-13-6-4-3-5-7-13)28-19-21-15-9-8-14(27-2)10-16(15)22-19/h3-10H,11H2,1-2H3,(H,21,22)