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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(OC=C3)C

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(OC=C3)C

InChI

InChI=1S/C21H26N4O2S/c1-3-4-5-9-13-22-19(26)15-28-21-24-23-20(18-12-14-27-16(18)2)25(21)17-10-7-6-8-11-17/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3,(H,22,26)