1-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-phenyl]ethanone

Systemtic Name: 1-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-phenyl]ethanone Openeye Name: 1-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-phenyl]ethanone CAS Name: 1-[3-[(6-methyl-1H-benzimidazol-2-yl)thio]-4-nitrophenyl]ethanone IUPAC Name: 1-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitrophenyl]ethanone Traditional Name: 1-[3-[(6-methyl-1H-benzimidazol-2-yl)thio]-4-nitro-phenyl]ethanone Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC3=C(C=CC(=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC3=C(C=CC(=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-9-3-5-12-13(7-9)18-16(17-12)23-15-8-11(10(2)20)4-6-14(15)19(21)22/h3-8H,1-2H3,(H,17,18)