5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione hydrate

Systemtic Name: 5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione hydrate Openeye Name: 5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione hydrate CAS Name: 5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione hydrate IUPAC Name: 5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione hydrate Traditional Name: 5-(4-aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione hydrate Formula: C8H10N4OS MolecularWeight: 210.2562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=S)NN2)N.O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=S)NN2)N.O

InChI

InChI=1S/C8H8N4S.H2O/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7;/h1-4H,9H2,(H2,10,11,12,13);1H2