azido-(4-isothiocyanatophenyl)methanone

Systemtic Name: azido-(4-isothiocyanatophenyl)methanone Openeye Name: 4-isothiocyanatobenzoyl azide CAS Name: azido-(4-isothiocyanatophenyl)methanone IUPAC Name: 4-isothiocyanatobenzoyl azide Traditional Name: azido-(4-isothiocyanatophenyl)methanone Formula: C8H4N4OS MolecularWeight: 204.20856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N=[N+]=[N-])N=C=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)N=[N+]=[N-])N=C=S

InChI

InChI=1S/C8H4N4OS/c9-12-11-8(13)6-1-3-7(4-2-6)10-5-14/h1-4H