2-(2-hydroxyethyloxymethyl)-6-phenylsulfanyl-1,2,4-triazine-3,5-dione

Systemtic Name: 2-(2-hydroxyethyloxymethyl)-6-phenylsulfanyl-1,2,4-triazine-3,5-dione Openeye Name: 2-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-1,2,4-triazine-3,5-dione CAS Name: 2-(2-hydroxyethoxymethyl)-6-(phenylthio)-1,2,4-triazine-3,5-dione IUPAC Name: 2-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-1,2,4-triazine-3,5-dione Traditional Name: 2-(2-hydroxyethoxymethyl)-6-(phenylthio)-1,2,4-triazine-3,5-quinone Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NN(C(=O)NC2=O)COCCO

Isomeric SMILES

C1=CC=C(C=C1)SC2=NN(C(=O)NC2=O)COCCO

InChI

InChI=1S/C12H13N3O4S/c16-6-7-19-8-15-12(18)13-10(17)11(14-15)20-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,13,17,18)