2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-yl-ethanamide

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-yl-ethanamide Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(8-quinolyl)acetamide CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(8-quinolinyl)acetamide IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-ylacetamide Traditional Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(8-quinolyl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-14-9-10-15(2)19(12-14)27-16(3)25-26-22(27)29-13-20(28)24-18-8-4-6-17-7-5-11-23-21(17)18/h4-12H,13H2,1-3H3,(H,24,28)