2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O4S/c21-14-10-3-1-2-4-11(10)15(22)19(14)8-25-16-17-12-6-5-9(20(23)24)7-13(12)18-16/h1-7H,8H2,(H,17,18)