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

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)propan-1-one Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C23H33N5O2S/c1-17-11-15-26(16-12-17)21(29)18(2)31-23-25-24-22(27-13-7-4-8-14-27)28(23)19-9-5-6-10-20(19)30-3/h5-6,9-10,17-18H,4,7-8,11-16H2,1-3H3