methyl 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)OC)N3CCCCC3

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)OC)N3CCCCC3

InChI

InChI=1S/C19H26N4O2S/c1-14(22-12-8-5-9-13-22)17-20-21-19(26-15(2)18(24)25-3)23(17)16-10-6-4-7-11-16/h4,6-7,10-11,14-15H,5,8-9,12-13H2,1-3H3