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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C22H20N6O3S/c29-19(25-21(30)24-13-18-9-5-11-31-18)15-32-22-27-26-20(17-8-4-10-23-12-17)28(22)14-16-6-2-1-3-7-16/h1-12H,13-15H2,(H2,24,25,29,30)