2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NCCC3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NCCC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C26H33N5O2S/c1-20(30-17-7-4-8-18-30)25-28-29-26(31(25)22-11-13-23(33-2)14-12-22)34-19-24(32)27-16-15-21-9-5-3-6-10-21/h3,5-6,9-14,20H,4,7-8,15-19H2,1-2H3,(H,27,32)