1-[2-[(5-methyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-1H-indol-5-yl]ethanone

Systemtic Name: 1-[2-[(5-methyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfanyl]-1H-indol-5-yl]ethanone Openeye Name: 1-[2-[[5-methyl-4-(1-piperidyl)-2-pyridyl]methylsulfanyl]-1H-indol-5-yl]ethanone CAS Name: 1-[2-[[5-methyl-4-(1-piperidinyl)-2-pyridinyl]methylthio]-1H-indol-5-yl]ethanone IUPAC Name: 1-[2-[(5-methyl-4-piperidin-1-ylpyridin-2-yl)methylsulfanyl]-1H-indol-5-yl]ethanone Traditional Name: 1-[2-[(5-methyl-4-piperidino-2-pyridyl)methylthio]-1H-indol-5-yl]ethanone Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1N2CCCCC2)CSC3=CC4=C(N3)C=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CN=C(C=C1N2CCCCC2)CSC3=CC4=C(N3)C=CC(=C4)C(=O)C

InChI

InChI=1S/C22H25N3OS/c1-15-13-23-19(12-21(15)25-8-4-3-5-9-25)14-27-22-11-18-10-17(16(2)26)6-7-20(18)24-22/h6-7,10-13,24H,3-5,8-9,14H2,1-2H3