2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(5-quinolyl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H21N5OS/c1-15(2)16-8-10-17(11-9-16)27-14-24-26-22(27)29-13-21(28)25-20-7-3-6-19-18(20)5-4-12-23-19/h3-12,14-15H,13H2,1-2H3,(H,25,28)