2-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]thiazol-2-yl]acetonitrile CAS Name: 2-[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]thiazol-2-yl]acetonitrile Formula: C13H9N5O2S2 MolecularWeight: 331.37286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC3=CSC(=N3)CC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC3=CSC(=N3)CC#N

InChI

InChI=1S/C13H9N5O2S2/c14-4-3-12-15-8(6-21-12)7-22-13-16-10-2-1-9(18(19)20)5-11(10)17-13/h1-2,5-6H,3,7H2,(H,16,17)