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

Systemtic Name: N-(furan-2-ylmethylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-furylmethylcarbamoyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2-furanylmethylamino)-oxomethyl]-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-furfurylcarbamoyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C22H20N6O3S/c1-15-5-2-3-7-18(15)28-20(16-8-10-23-11-9-16)26-27-22(28)32-14-19(29)25-21(30)24-13-17-6-4-12-31-17/h2-12H,13-14H2,1H3,(H2,24,25,29,30)