1-[4-(1-methylbenzimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2C)[N+](=O)[O-]

InChI

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