[2-[6-(dimethylamino)hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-isopropyl-3-pyridyl]-phenyl-methanone; oxalic acid CAS Name: [2-[6-(dimethylamino)hexylthio]-6-propan-2-yl-3-pyridinyl]-phenylmethanone; oxalic acid IUPAC Name: [2-[6-(dimethylamino)hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-phenylmethanone; oxalic acid Traditional Name: [2-[6-(dimethylamino)hexylthio]-6-isopropyl-3-pyridyl]-phenyl-methanone; oxalic acid Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CC=C2)SCCCCCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CC=C2)SCCCCCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2OS.C2H2O4/c1-18(2)21-15-14-20(22(26)19-12-8-7-9-13-19)23(24-21)27-17-11-6-5-10-16-25(3)4;3-1(4)2(5)6/h7-9,12-15,18H,5-6,10-11,16-17H2,1-4H3;(H,3,4)(H,5,6)