3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-[(E)-(3-ethoxy-4-methoxy-phenyl)methylideneamino]-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-[(E)-(3-ethoxy-4-methoxy-phenyl)methylideneamino]-6-methyl-1,2,4-triazin-5-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-[(E)-(3-ethoxy-4-methoxy-phenyl)methyleneamino]-6-methyl-1,2,4-triazin-5-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-6-methyl-1,2,4-triazin-5-one Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-[(E)-(3-ethoxy-4-methoxy-benzylidene)amino]-6-methyl-1,2,4-triazin-5-one Formula: C21H20ClFN4O3S MolecularWeight: 462.924903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C(=O)C(=NN=C2SCC3=C(C=CC=C3Cl)F)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/N2C(=O)C(=NN=C2SCC3=C(C=CC=C3Cl)F)C)OC

InChI

InChI=1S/C21H20ClFN4O3S/c1-4-30-19-10-14(8-9-18(19)29-3)11-24-27-20(28)13(2)25-26-21(27)31-12-15-16(22)6-5-7-17(15)23/h5-11H,4,12H2,1-3H3/b24-11+