2-[[3-methyl-4-[3-(4-methylpyrimidin-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[3-(4-methylpyrimidin-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(4-methylpyrimidin-2-yl)sulfanylpropylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-[(4-methyl-2-pyrimidinyl)thio]propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-(4-methylpyrimidin-2-yl)sulfanylpropylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-[(4-methylpyrimidin-2-yl)thio]propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C22H23N5S3 MolecularWeight: 453.64652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCCCSC2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=NC(=NC=C1)SCCCSC2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H23N5S3/c1-15-8-10-24-21(25-15)29-13-5-12-28-20-9-11-23-19(16(20)2)14-30-22-26-17-6-3-4-7-18(17)27-22/h3-4,6-11H,5,12-14H2,1-2H3,(H,26,27)