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

Systemtic Name: 1-[3-(6-methyl-1H-benzimidazol-2-yl)-4-nitro-phenyl]-2-sulfanyl-ethanone Openeye Name: 1-[3-(6-methyl-1H-benzimidazol-2-yl)-4-nitro-phenyl]-2-sulfanyl-ethanone CAS Name: 2-mercapto-1-[3-(6-methyl-1H-benzimidazol-2-yl)-4-nitrophenyl]ethanone IUPAC Name: 1-[3-(6-methyl-1H-benzimidazol-2-yl)-4-nitrophenyl]-2-sulfanylethanone Traditional Name: 2-mercapto-1-[3-(6-methyl-1H-benzimidazol-2-yl)-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)C3=C(C=CC(=C3)C(=O)CS)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c1-9-2-4-12-13(6-9)18-16(17-12)11-7-10(15(20)8-23)3-5-14(11)19(21)22/h2-7,23H,8H2,1H3,(H,17,18)