2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]pyrimidine

Systemtic Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylsulfanyl]-2-pyridyl]methylsulfanyl]pyrimidine CAS Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-1-imidazolyl)propylthio]-2-pyridinyl]methylthio]pyrimidine IUPAC Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitroimidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylthio]-2-pyridyl]methylthio]pyrimidine Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC=CC=N2)SCCCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC=CC=N2)SCCCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H20N6O2S2/c1-13-15(12-28-18-20-6-3-7-21-18)19-8-5-16(13)27-10-4-9-23-14(2)22-11-17(23)24(25)26/h3,5-8,11H,4,9-10,12H2,1-2H3