2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2S/c1-16-9-13-26(14-10-16)20(28)15-30-22-25-24-21(17-7-11-23-12-8-17)27(22)18-5-3-4-6-19(18)29-2/h3-8,11-12,16H,9-10,13-15H2,1-2H3