3-(1H-1,2,4-triazol-5-yl)benzenethiol

Systemtic Name: 3-(1H-1,2,4-triazol-5-yl)benzenethiol Openeye Name: 3-(1H-1,2,4-triazol-5-yl)benzenethiol CAS Name: 3-(1H-1,2,4-triazol-5-yl)benzenethiol IUPAC Name: 3-(1H-1,2,4-triazol-5-yl)benzenethiol Traditional Name: 3-(1H-1,2,4-triazol-5-yl)benzenethiol Formula: C8H7N3S MolecularWeight: 177.22628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S)C2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)S)C2=NC=NN2

InChI

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