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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5O2S2/c1-2-29-19-10-4-3-9-18(19)27-21(16-7-5-11-23-13-16)25-26-22(27)31-15-20(28)24-14-17-8-6-12-30-17/h3-13H,2,14-15H2,1H3,(H,24,28)