methyl 2-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]benzoate

Systemtic Name: methyl 2-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]benzoate Openeye Name: methyl 2-[3-[[3-methyl-2-(4-pyridylsulfanylmethyl)-4-pyridyl]sulfanyl]propylsulfanyl]benzoate CAS Name: 2-[3-[[3-methyl-2-[(pyridin-4-ylthio)methyl]-4-pyridinyl]thio]propylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-methyl-2-(pyridin-4-ylsulfanylmethyl)pyridin-4-yl]sulfanylpropylsulfanyl]benzoate Traditional Name: 2-[3-[[3-methyl-2-[(4-pyridylthio)methyl]-4-pyridyl]thio]propylthio]benzoic acid methyl ester Formula: C23H24N2O2S3 MolecularWeight: 456.64386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCSC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=CC=NC=C2)SCCCSC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H24N2O2S3/c1-17-20(16-30-18-8-11-24-12-9-18)25-13-10-21(17)28-14-5-15-29-22-7-4-3-6-19(22)23(26)27-2/h3-4,6-13H,5,14-16H2,1-2H3