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

Systemtic Name: 4-[(E)-(3-ethoxy-4-methoxy-phenyl)methylideneamino]-6-methyl-3-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazin-5-one Openeye Name: 4-[(E)-(3-ethoxy-4-methoxy-phenyl)methyleneamino]-6-methyl-3-(3-pyridylmethylsulfanyl)-1,2,4-triazin-5-one CAS Name: 4-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-6-methyl-3-(3-pyridinylmethylthio)-1,2,4-triazin-5-one IUPAC Name: 4-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-6-methyl-3-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazin-5-one Traditional Name: 4-[(E)-(3-ethoxy-4-methoxy-benzylidene)amino]-6-methyl-3-(3-pyridylmethylthio)-1,2,4-triazin-5-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C(=O)C(=NN=C2SCC3=CN=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/N2C(=O)C(=NN=C2SCC3=CN=CC=C3)C)OC

InChI

InChI=1S/C20H21N5O3S/c1-4-28-18-10-15(7-8-17(18)27-3)12-22-25-19(26)14(2)23-24-20(25)29-13-16-6-5-9-21-11-16/h5-12H,4,13H2,1-3H3/b22-12+