N-(4-piperidin-1-ylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-piperidin-1-ylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: N-[4-(1-piperidinyl)phenyl]-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-piperidin-1-ylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C24H29N5O2S/c1-17(2)31-21-8-6-7-18(15-21)23-26-24(28-27-23)32-16-22(30)25-19-9-11-20(12-10-19)29-13-4-3-5-14-29/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H,25,30)(H,26,27,28)