2-[[(3E)-5-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]-3-(nitromethylidene)pentyl]sulfanylmethyl]-3-methoxy-pyridine

Systemtic Name: 2-[[(3E)-5-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]-3-(nitromethylidene)pentyl]sulfanylmethyl]-3-methoxy-pyridine Openeye Name: 2-[[(3E)-5-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]-3-(nitromethylene)pentyl]sulfanylmethyl]-3-methoxy-pyridine CAS Name: 2-[[[(3E)-5-[(4-bromo-1H-imidazol-5-yl)methylthio]-3-(nitromethylidene)pentyl]thio]methyl]-3-methoxypyridine IUPAC Name: 2-[[(3E)-5-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]-3-(nitromethylidene)pentyl]sulfanylmethyl]-3-methoxypyridine Traditional Name: 2-[[[(E)-3-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]-4-nitro-but-3-enyl]thio]methyl]-3-methoxy-pyridine Formula: C17H21BrN4O3S2 MolecularWeight: 473.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCC(=C[N+](=O)[O-])CCSCC2=C(N=CN2)Br

Isomeric SMILES

COC1=C(N=CC=C1)CSCC/C(=C/[N+](=O)[O-])/CCSCC2=C(N=CN2)Br

InChI

InChI=1S/C17H21BrN4O3S2/c1-25-16-3-2-6-19-14(16)10-26-7-4-13(9-22(23)24)5-8-27-11-15-17(18)21-12-20-15/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,20,21)/b13-9-