4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one hydrate

Systemtic Name: 4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one hydrate Openeye Name: 4-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one hydrate CAS Name: 4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,5-dienone hydrate IUPAC Name: 4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one hydrate Traditional Name: 4-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one hydrate Formula: C8H9N3O2S MolecularWeight: 211.24096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NC(=S)NN2.O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NC(=S)NN2.O

InChI

InChI=1S/C8H7N3OS.H2O/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7;/h1-4,10H,(H2,9,11,13);1H2