5-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide

Systemtic Name: 5-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide Openeye Name: 5-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide CAS Name: 5-[[5-(2-furanyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-propylpentanamide IUPAC Name: 5-[[5-(furan-2-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpentanamide Traditional Name: 5-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-propyl-valeramide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CO3

Isomeric SMILES

CCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC(=C2)C)C3=CC=CO3

InChI

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