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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-p-phenetyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)C4=CC=CS4

InChI

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