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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5O3S/c1-2-29-18-7-5-17(6-8-18)24-20(28)15-31-22-26-25-21(16-9-11-23-12-10-16)27(22)14-19-4-3-13-30-19/h3-13H,2,14-15H2,1H3,(H,24,28)