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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C22H31N5O2S/c1-17-10-14-25(15-11-17)20(28)16-30-22-24-23-21(26-12-6-3-7-13-26)27(22)18-8-4-5-9-19(18)29-2/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3