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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=C(OC=C3)C

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=C(OC=C3)C

InChI

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