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

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-isobutyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-isobutyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC(C)C)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC(C)C)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-15(2)13-25-20(18-10-12-27-16(18)3)23-24-21(25)28-14-19(26)22-11-9-17-7-5-4-6-8-17/h4-8,10,12,15H,9,11,13-14H2,1-3H3,(H,22,26)