5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione hydrate

Systemtic Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione hydrate Openeye Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione hydrate CAS Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione hydrate IUPAC Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione hydrate Traditional Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione hydrate Formula: C8H9N3OS MolecularWeight: 195.24156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)NN2.O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)NN2.O

InChI

InChI=1S/C8H7N3S.H2O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6;/h1-5H,(H2,9,10,11,12);1H2