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

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H19N5OS/c1-14-6-3-7-15(12-14)20-24-25-21(26(20)2)28-13-19(27)23-18-10-4-9-17-16(18)8-5-11-22-17/h3-12H,13H2,1-2H3,(H,23,27)