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

Systemtic Name: N-(furan-2-ylmethyl)-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-benzyl-N-(2-furylmethyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-furanylmethyl)-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-benzyl-N-(furan-2-ylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-(2-furfuryl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5O2S/c27-19(15-29-21-23-20(24-25-21)17-8-10-22-11-9-17)26(14-18-7-4-12-28-18)13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,23,24,25)