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

Systemtic Name: 4-azanyl-6-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-6H-1,2,4-triazin-1-ium-5-one Openeye Name: 4-amino-6-[(3,4-dimethoxyphenyl)methyl]-3-thioxo-6H-1,2,4-triazin-1-ium-5-one CAS Name: 4-amino-6-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-6H-1,2,4-triazin-1-ium-5-one IUPAC Name: 4-amino-6-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-6H-1,2,4-triazin-1-ium-5-one Traditional Name: 4-amino-3-thioxo-6-veratryl-6H-1,2,4-triazin-1-ium-5-one Formula: C12H15N4O3S+ MolecularWeight: 295.3375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C(=O)N(C(=S)N=[NH+]2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C(=O)N(C(=S)N=[NH+]2)N)OC

InChI

InChI=1S/C12H14N4O3S/c1-18-9-4-3-7(6-10(9)19-2)5-8-11(17)16(13)12(20)15-14-8/h3-4,6,8H,5,13H2,1-2H3/p+1