2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S/c1-18-21(13-15-30-18)23-26-27-24(28(23)16-20-10-6-3-7-11-20)31-17-22(29)25-14-12-19-8-4-2-5-9-19/h2-11,13,15H,12,14,16-17H2,1H3,(H,25,29)