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

Systemtic Name: N-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propoxy]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propoxy]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]propoxy]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]propoxy]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]propoxy]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCSCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCSCCN4C(=NC=C4[N+](=O)[O-])C

InChI

InChI=1S/C25H28N6O3S/c1-18-23(16-28-21-14-20-6-3-4-7-22(20)29-15-21)26-9-8-24(18)34-11-5-12-35-13-10-30-19(2)27-17-25(30)31(32)33/h3-4,6-9,14-15,17,28H,5,10-13,16H2,1-2H3