3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-chloro-8-quinolyl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-chloro-8-quinolinyl)methylthio]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(3-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-chloro-8-quinolyl)methylthio]-5-(3-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C18H13ClFN5S MolecularWeight: 385.845723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NN=C(N2N)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NN=C(N2N)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C18H13ClFN5S/c19-15-7-6-12(16-14(15)5-2-8-22-16)10-26-18-24-23-17(25(18)21)11-3-1-4-13(20)9-11/h1-9H,10,21H2