[2-[1-[3-(dimethylamino)propylsulfanyl]propan-2-ylsulfanyl]-6-methyl-pyridin-3-yl]-phenyl-methanone

Systemtic Name: [2-[1-[3-(dimethylamino)propylsulfanyl]propan-2-ylsulfanyl]-6-methyl-pyridin-3-yl]-phenyl-methanone Openeye Name: [2-[2-[3-(dimethylamino)propylsulfanyl]-1-methyl-ethyl]sulfanyl-6-methyl-3-pyridyl]-phenyl-methanone CAS Name: [2-[1-[3-(dimethylamino)propylthio]propan-2-ylthio]-6-methyl-3-pyridinyl]-phenylmethanone IUPAC Name: [2-[1-[3-(dimethylamino)propylsulfanyl]propan-2-ylsulfanyl]-6-methylpyridin-3-yl]-phenylmethanone Traditional Name: [2-[[2-[3-(dimethylamino)propylthio]-1-methyl-ethyl]thio]-6-methyl-3-pyridyl]-phenyl-methanone Formula: C21H28N2OS2 MolecularWeight: 388.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)C2=CC=CC=C2)SC(C)CSCCCN(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)C2=CC=CC=C2)SC(C)CSCCCN(C)C

InChI

InChI=1S/C21H28N2OS2/c1-16-11-12-19(20(24)18-9-6-5-7-10-18)21(22-16)26-17(2)15-25-14-8-13-23(3)4/h5-7,9-12,17H,8,13-15H2,1-4H3