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

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[4-(4-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[4-(4-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)acetamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5OS2/c1-2-16-7-9-18(10-8-16)27-21(17-5-3-11-23-13-17)25-26-22(27)30-15-20(28)24-14-19-6-4-12-29-19/h3-13H,2,14-15H2,1H3,(H,24,28)