3-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: 3-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O2S/c1-24-19(17-13-14-7-5-6-10-16(14)26-17)22-23-20(24)27-12-11-18(25)21-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,21,25)