S-(benzotriazol-1-ylmethyl) carbamothioate

Systemtic Name: S-(benzotriazol-1-ylmethyl) carbamothioate Openeye Name: S-(benzotriazol-1-ylmethyl) carbamothioate CAS Name: carbamothioic acid S-(1-benzotriazolylmethyl) ester IUPAC Name: S-(benzotriazol-1-ylmethyl) carbamothioate Traditional Name: thiocarbamic acid S-(benzotriazol-1-ylmethyl) ester Formula: C8H8N4OS MolecularWeight: 208.24032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC(=O)N

InChI

InChI=1S/C8H8N4OS/c9-8(13)14-5-12-7-4-2-1-3-6(7)10-11-12/h1-4H,5H2,(H2,9,13)