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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)CSC3=NN=C(N3N)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)CSC3=NN=C(N3N)C4=CC=C(C=C4)F)Cl

InChI

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