3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]-2-(pyridin-4-ylsulfanylmethyl)pyridine

Systemtic Name: 3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]-2-(pyridin-4-ylsulfanylmethyl)pyridine Openeye Name: 3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]-2-(4-pyridylsulfanylmethyl)pyridine CAS Name: 3-methyl-4-[3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]propylthio]-2-[(pyridin-4-ylthio)methyl]pyridine IUPAC Name: 3-methyl-4-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]propylsulfanyl]-2-(pyridin-4-ylsulfanylmethyl)pyridine Traditional Name: 3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]propylthio]-2-[(4-pyridylthio)methyl]pyridine Formula: C21H25N5O2S3 MolecularWeight: 475.6505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCSCCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCSCCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O2S3/c1-16-19(15-31-18-4-7-22-8-5-18)23-9-6-20(16)30-12-3-11-29-13-10-25-17(2)24-14-21(25)26(27)28/h4-9,14H,3,10-13,15H2,1-2H3