2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C23H29N5OS/c1-26-13-8-11-20(26)17-21-24-25-23(28(21)16-12-19-9-4-2-5-10-19)30-18-22(29)27-14-6-3-7-15-27/h2,4-5,8-11,13H,3,6-7,12,14-18H2,1H3