6-sulfanyl-6H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-sulfanyl-6H-1,2,4-triazine-3,5-dione Openeye Name: 6-sulfanyl-6H-1,2,4-triazine-3,5-dione CAS Name: 6-mercapto-6H-1,2,4-triazine-3,5-dione IUPAC Name: 6-sulfanyl-6H-1,2,4-triazine-3,5-dione Traditional Name: 6-mercapto-6H-1,2,4-triazine-3,5-quinone Formula: C3H3N3O2S MolecularWeight: 145.13982

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(=O)NC(=O)N=N1)S

Isomeric SMILES

C1(C(=O)NC(=O)N=N1)S

InChI

InChI=1S/C3H3N3O2S/c7-1-2(9)5-6-3(8)4-1/h2,9H,(H,4,7,8)