N,N-diethyl-2-(1-methyl-5-nitro-benzimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: N,N-diethyl-2-(1-methyl-5-nitro-benzimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N,N-diethyl-2-(1-methyl-5-nitro-benzimidazol-2-yl)sulfanyl-ethanamine CAS Name: N,N-diethyl-2-[(1-methyl-5-nitro-2-benzimidazolyl)thio]ethanamine IUPAC Name: N,N-diethyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanylethanamine Traditional Name: diethyl-[2-[(1-methyl-5-nitro-benzimidazol-2-yl)thio]ethyl]amine Formula: C14H20N4O2S MolecularWeight: 308.3992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(N1C)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(N1C)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O2S/c1-4-17(5-2)8-9-21-14-15-12-10-11(18(19)20)6-7-13(12)16(14)3/h6-7,10H,4-5,8-9H2,1-3H3