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

Systemtic Name: 4-[(E)-(3-ethoxy-4-methoxy-phenyl)methylideneamino]-6-methyl-3-(phenylmethylsulfanyl)-1,2,4-triazin-5-one Openeye Name: 3-benzylsulfanyl-4-[(E)-(3-ethoxy-4-methoxy-phenyl)methyleneamino]-6-methyl-1,2,4-triazin-5-one CAS Name: 4-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-6-methyl-3-(phenylmethylthio)-1,2,4-triazin-5-one IUPAC Name: 3-benzylsulfanyl-4-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-6-methyl-1,2,4-triazin-5-one Traditional Name: 3-(benzylthio)-4-[(E)-(3-ethoxy-4-methoxy-benzylidene)amino]-6-methyl-1,2,4-triazin-5-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-4-28-19-12-17(10-11-18(19)27-3)13-22-25-20(26)15(2)23-24-21(25)29-14-16-8-6-5-7-9-16/h5-13H,4,14H2,1-3H3/b22-13+