N-(2-cyano-1-benzofuran-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H17N5O2S MolecularWeight: 415.46768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

InChI

InChI=1S/C22H17N5O2S/c23-12-18-20(16-8-4-5-9-17(16)29-18)24-19(28)13-30-22-25-21(14-10-11-14)27(26-22)15-6-2-1-3-7-15/h1-9,14H,10-11,13H2,(H,24,28)