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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

InChI

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