2-[[(3E)-5-(1H-imidazol-5-ylmethylsulfanyl)-3-(nitromethylidene)pentyl]sulfanylmethyl]-3-methoxy-pyridine

Systemtic Name: 2-[[(3E)-5-(1H-imidazol-5-ylmethylsulfanyl)-3-(nitromethylidene)pentyl]sulfanylmethyl]-3-methoxy-pyridine Openeye Name: 2-[[(3E)-5-(1H-imidazol-5-ylmethylsulfanyl)-3-(nitromethylene)pentyl]sulfanylmethyl]-3-methoxy-pyridine CAS Name: 2-[[[(3E)-5-(1H-imidazol-5-ylmethylthio)-3-(nitromethylidene)pentyl]thio]methyl]-3-methoxypyridine IUPAC Name: 2-[[(3E)-5-(1H-imidazol-5-ylmethylsulfanyl)-3-(nitromethylidene)pentyl]sulfanylmethyl]-3-methoxypyridine Traditional Name: 2-[[[(E)-3-[2-(1H-imidazol-5-ylmethylthio)ethyl]-4-nitro-but-3-enyl]thio]methyl]-3-methoxy-pyridine Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S2/c1-24-17-3-2-6-19-16(17)12-26-8-5-14(10-21(22)23)4-7-25-11-15-9-18-13-20-15/h2-3,6,9-10,13H,4-5,7-8,11-12H2,1H3,(H,18,20)/b14-10+