1-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methyl]benzimidazole

Systemtic Name: 1-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methyl]benzimidazole Openeye Name: 1-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)-2-pyridyl]methyl]benzimidazole CAS Name: 1-[[3-methyl-4-[3-(2-pyrimidinylthio)propylthio]-2-pyridinyl]methyl]benzimidazole IUPAC Name: 1-[[3-methyl-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methyl]benzimidazole Traditional Name: 1-[[3-methyl-4-[3-(2-pyrimidylthio)propylthio]-2-pyridyl]methyl]benzimidazole Formula: C21H21N5S2 MolecularWeight: 407.55494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CN2C=NC3=CC=CC=C32)SCCCSC4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1CN2C=NC3=CC=CC=C32)SCCCSC4=NC=CC=N4

InChI

InChI=1S/C21H21N5S2/c1-16-18(14-26-15-25-17-6-2-3-7-19(17)26)22-11-8-20(16)27-12-5-13-28-21-23-9-4-10-24-21/h2-4,6-11,15H,5,12-14H2,1H3