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

Systemtic Name: 4-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]butylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: 4-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]butylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: 4-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]butylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: 4-[[3-methyl-4-[4-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]butylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [4-[[3-methyl-4-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]butylthio]-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=C1CC2=C(C=NC3=CC=CC=C32)N)SCCCCSCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CC2=C(C=NC3=CC=CC=C32)N)SCCCCSCCN4C(=NC=C4[N+](=O)[O-])C

InChI

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