4-azanyl-3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[(5-chloranylquinolin-8-yl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[(5-chloro-8-quinolyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[(5-chloro-8-quinolinyl)methylthio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[(5-chloroquinolin-8-yl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[(5-chloro-8-quinolyl)methylthio]-6-methyl-1,2,4-triazin-5-one Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C14H12ClN5OS/c1-8-13(21)20(16)14(19-18-8)22-7-9-4-5-11(15)10-3-2-6-17-12(9)10/h2-6H,7,16H2,1H3