4-(2,3-dihydro-1,2,3,4-thiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one hydrate

Systemtic Name: 4-(2,3-dihydro-1,2,3,4-thiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one hydrate Openeye Name: 4-(2,3-dihydrothiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one hydrate CAS Name: 4-(2,3-dihydrothiatriazol-5-ylimino)-1-cyclohexa-2,5-dienone hydrate IUPAC Name: 4-(2,3-dihydrothiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one hydrate Traditional Name: 4-(2,3-dihydrothiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one hydrate Formula: C7H8N4O2S MolecularWeight: 212.22902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=NC2=NNNS2.O

Isomeric SMILES

C1=CC(=O)C=CC1=NC2=NNNS2.O

InChI

InChI=1S/C7H6N4OS.H2O/c12-6-3-1-5(2-4-6)8-7-9-10-11-13-7;/h1-4,10-11H;1H2