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

Systemtic Name: N-[[3-methyl-4-[3-[3-(2-methyl-4-nitro-imidazol-1-yl)propylsulfanyl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[3-[3-(2-methyl-4-nitro-imidazol-1-yl)propylsulfanyl]propylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[3-[3-(2-methyl-4-nitro-1-imidazolyl)propylthio]propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[3-[3-(2-methyl-4-nitroimidazol-1-yl)propylsulfanyl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[3-[3-(2-methyl-4-nitro-imidazol-1-yl)propylthio]propylthio]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C26H30N6O2S2 MolecularWeight: 522.6854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCSCCCN4C=C(N=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCSCCCN4C=C(N=C4C)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O2S2/c1-19-24(17-28-22-15-21-7-3-4-8-23(21)29-16-22)27-10-9-25(19)36-14-6-13-35-12-5-11-31-18-26(32(33)34)30-20(31)2/h3-4,7-10,15-16,18,28H,5-6,11-14,17H2,1-2H3