2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-N-(phenylmethyl)ethanamine

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanyl-N-(phenylmethyl)ethanamine Openeye Name: 2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]-N-benzyl-ethanamine CAS Name: 2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]-N-(phenylmethyl)ethanamine IUPAC Name: 2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanyl-N-benzylethanamine Traditional Name: 2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amine Formula: C23H24N4S2 MolecularWeight: 420.59346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCNCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCNCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4S2/c1-17-21(16-29-23-26-19-9-5-6-10-20(19)27-23)25-12-11-22(17)28-14-13-24-15-18-7-3-2-4-8-18/h2-12,24H,13-16H2,1H3,(H,26,27)