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

Systemtic Name: N-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]butoxy]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]butoxy]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]butoxy]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]butoxy]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]butoxy]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C26H30N6O3S MolecularWeight: 506.6198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSCCN4C(=NC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H30N6O3S/c1-19-24(17-29-22-15-21-7-3-4-8-23(21)30-16-22)27-10-9-25(19)35-12-5-6-13-36-14-11-31-20(2)28-18-26(31)32(33)34/h3-4,7-10,15-16,18,29H,5-6,11-14,17H2,1-2H3