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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O2S/c1-4-16(5-2)23-19(27)14-29-21-25-24-20(15-10-12-22-13-11-15)26(21)17-6-8-18(28-3)9-7-17/h6-13,16H,4-5,14H2,1-3H3,(H,23,27)