3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(5-chloro-8-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-chloro-8-quinolinyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(5-chloroquinolin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(5-chloro-8-quinolyl)methylthio]-1H-1,2,4-triazol-5-one Formula: C19H15ClN4OS MolecularWeight: 382.8666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C19H15ClN4OS/c20-16-9-8-14(17-15(16)7-4-10-21-17)12-26-19-23-22-18(25)24(19)11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,25)