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

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-2-16-7-3-4-10-19(16)27-21(17-8-5-11-23-13-17)25-26-22(27)30-15-20(28)24-14-18-9-6-12-29-18/h3-13H,2,14-15H2,1H3,(H,24,28)