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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(3-methoxypropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCCOC)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCCOC)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O3S/c1-3-29-18-9-7-17(8-10-18)23-19(27)15-30-21-25-24-20(16-6-4-11-22-14-16)26(21)12-5-13-28-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,23,27)