2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine

Systemtic Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]propylthio]-2-pyridyl]methyl]-3-quinolyl]amine Formula: C25H28N6O2S2 MolecularWeight: 508.65882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCSCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CC2=NC3=CC=CC=C3C=C2N)SCCCSCCN4C(=NC=C4[N+](=O)[O-])C

InChI

InChI=1S/C25H28N6O2S2/c1-17-22(15-23-20(26)14-19-6-3-4-7-21(19)29-23)27-9-8-24(17)35-12-5-11-34-13-10-30-18(2)28-16-25(30)31(32)33/h3-4,6-9,14,16H,5,10-13,15,26H2,1-2H3