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

Systemtic Name: 2-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C20H17FN6OS MolecularWeight: 408.451983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC(=O)NC3=CC=CC4=C3C=CC=N4)F

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NN=C(N2N)SCC(=O)NC3=CC=CC4=C3C=CC=N4)F

InChI

InChI=1S/C20H17FN6OS/c21-15-7-2-1-5-13(15)11-18-25-26-20(27(18)22)29-12-19(28)24-17-9-3-8-16-14(17)6-4-10-23-16/h1-10H,11-12,22H2,(H,24,28)