[(6-nitro-1H-benzimidazol-2-yl)sulfanyl-phenyl-methyl] ethanoate

Systemtic Name: [(6-nitro-1H-benzimidazol-2-yl)sulfanyl-phenyl-methyl] ethanoate Openeye Name: [(6-nitro-1H-benzimidazol-2-yl)sulfanyl-phenyl-methyl] acetate CAS Name: acetic acid [[(6-nitro-1H-benzimidazol-2-yl)thio]-phenylmethyl] ester IUPAC Name: [(6-nitro-1H-benzimidazol-2-yl)sulfanyl-phenylmethyl] acetate Traditional Name: acetic acid [[(6-nitro-1H-benzimidazol-2-yl)thio]-phenyl-methyl] ester Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-10(20)23-15(11-5-3-2-4-6-11)24-16-17-13-8-7-12(19(21)22)9-14(13)18-16/h2-9,15H,1H3,(H,17,18)