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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[(4-benzyl-5-methyl-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=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H19N5OS/c1-15-24-25-21(26(15)13-16-7-3-2-4-8-16)28-14-20(27)23-19-11-5-10-18-17(19)9-6-12-22-18/h2-12H,13-14H2,1H3,(H,23,27)