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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C19H15ClN6OS MolecularWeight: 410.88

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN6OS/c20-13-8-6-12(7-9-13)18-24-25-19(26(18)21)28-11-17(27)23-16-5-1-4-15-14(16)3-2-10-22-15/h1-10H,11,21H2,(H,23,27)