2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[5-(2-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[5-(2-furyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=CO4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=CO4

InChI

InChI=1S/C22H22N4O2S/c1-15(2)13-26-21(19-8-5-11-28-19)24-25-22(26)29-14-20(27)23-18-10-9-16-6-3-4-7-17(16)12-18/h3-12,15H,13-14H2,1-2H3,(H,23,27)