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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 3-thioxo-6-veratryl-2H-1,2,4-triazin-5-one Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=S)NC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=S)NC2=O)OC

InChI

InChI=1S/C12H13N3O3S/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(16)13-12(19)15-14-8/h3-4,6H,5H2,1-2H3,(H2,13,15,16,19)