2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)N=CC=C4

InChI

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