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

Systemtic Name: N-cyclopentyl-2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopentyl-2-[[4-(3-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopentyl-2-[[4-(3-methoxyphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopentyl-2-[[4-(3-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3CCCC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c1-28-17-10-6-9-16(13-17)26-20(18-11-4-5-12-22-18)24-25-21(26)29-14-19(27)23-15-7-2-3-8-15/h4-6,9-13,15H,2-3,7-8,14H2,1H3,(H,23,27)