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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C25H27N5O2S/c1-32-21-12-6-5-11-20(21)23-28-29-24(30(23)16-13-19-9-3-2-4-10-19)33-17-22(31)27-25(18-26)14-7-8-15-25/h2-6,9-12H,7-8,13-17H2,1H3,(H,27,31)