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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCCCCC(=O)NC(C)C)C3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCCCC(=O)NC(C)C)C3=CC=CO3

InChI

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