1-(6-nitrobenzotriazol-1-yl)-2-phenyl-ethanethione

Systemtic Name: 1-(6-nitrobenzotriazol-1-yl)-2-phenyl-ethanethione Openeye Name: 1-(6-nitrobenzotriazol-1-yl)-2-phenyl-ethanethione CAS Name: 1-(6-nitro-1-benzotriazolyl)-2-phenylethanethione IUPAC Name: 1-(6-nitrobenzotriazol-1-yl)-2-phenylethanethione Traditional Name: 1-(6-nitrobenzotriazol-1-yl)-2-phenyl-ethanethione Formula: C14H10N4O2S MolecularWeight: 298.3198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

C1=CC=C(C=C1)CC(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C14H10N4O2S/c19-18(20)11-6-7-12-13(9-11)17(16-15-12)14(21)8-10-4-2-1-3-5-10/h1-7,9H,8H2