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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-4-28-18-9-7-17(8-10-18)23-19(27)14-29-21-25-24-20(26(21)13-15(2)3)16-6-5-11-22-12-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)