3-methoxy-4-methyl-4-[3-(phenylmethylsulfanyl)phenyl]-1,5-dihydro-1,2,4-triazin-4-ium-6-one

Systemtic Name: 3-methoxy-4-methyl-4-[3-(phenylmethylsulfanyl)phenyl]-1,5-dihydro-1,2,4-triazin-4-ium-6-one Openeye Name: 4-(3-benzylsulfanylphenyl)-3-methoxy-4-methyl-1,5-dihydro-1,2,4-triazin-4-ium-6-one CAS Name: 3-methoxy-4-methyl-4-[3-(phenylmethylthio)phenyl]-1,5-dihydro-1,2,4-triazin-4-ium-6-one IUPAC Name: 4-(3-benzylsulfanylphenyl)-3-methoxy-4-methyl-1,5-dihydro-1,2,4-triazin-4-ium-6-one Traditional Name: 4-[3-(benzylthio)phenyl]-3-methoxy-4-methyl-1,5-dihydro-1,2,4-triazin-4-ium-6-one Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=O)NN=C1OC)C2=CC(=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CC(=O)NN=C1OC)C2=CC(=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-21(12-17(22)19-20-18(21)23-2)15-9-6-10-16(11-15)24-13-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3/p+1