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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCC3)C#N)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCC3)C#N)C4=CC=CS4

InChI

InChI=1S/C21H21N5O2S2/c1-28-16-8-3-2-7-15(16)26-19(17-9-6-12-29-17)24-25-20(26)30-13-18(27)23-21(14-22)10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,27)