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

Systemtic Name: 4-azanyl-6-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one Openeye Name: 4-amino-6-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one CAS Name: 4-amino-6-[(3,4-dimethoxyphenyl)methyl]-3-(methylthio)-6H-1,2,4-triazin-4-ium-5-one IUPAC Name: 4-amino-6-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-6H-1,2,4-triazin-4-ium-5-one Traditional Name: 4-amino-3-(methylthio)-6-veratryl-6H-1,2,4-triazin-4-ium-5-one Formula: C13H17N4O3S+ MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O3S/c1-19-10-5-4-8(7-11(10)20-2)6-9-12(18)17(14)13(21-3)16-15-9/h4-5,7,9H,6,14H2,1-3H3/q+1