4-azanyl-6-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one

Systemtic Name: 4-azanyl-6-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one Openeye Name: 4-amino-6-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one CAS Name: 4-amino-6-[(4-methoxyphenyl)methyl]-3-(methylthio)-6H-1,2,4-triazin-4-ium-5-one IUPAC Name: 4-amino-6-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one Traditional Name: 4-amino-3-(methylthio)-6-p-anisyl-6H-1,2,4-triazin-4-ium-5-one Formula: C12H15N4O2S+ MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(=O)[N+](=C(N=N2)SC)N

Isomeric SMILES

COC1=CC=C(C=C1)CC2C(=O)[N+](=C(N=N2)SC)N

InChI

InChI=1S/C12H15N4O2S/c1-18-9-5-3-8(4-6-9)7-10-11(17)16(13)12(19-2)15-14-10/h3-6,10H,7,13H2,1-2H3/q+1