2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-16-8-5-6-12-19(16)23-20(27)15-29-22-25-24-21(17-9-3-2-4-10-17)26(22)14-18-11-7-13-28-18/h2-13H,14-15H2,1H3,(H,23,27)