3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-chloranylquinolin-3-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-chloro-3-quinolyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-chloro-3-quinolinyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-chloroquinolin-3-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-chloro-3-quinolyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H17ClN4OS MolecularWeight: 396.89318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C20H17ClN4OS/c21-18-16(12-15-8-4-5-9-17(15)22-18)13-27-20-24-23-19(26)25(20)11-10-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,23,26)