1-isothiocyanato-1-phenyl-N-(phenylsulfonylmethyl)methanimine

Systemtic Name: 1-isothiocyanato-1-phenyl-N-(phenylsulfonylmethyl)methanimine Openeye Name: (E)-N-(benzenesulfonylmethyl)benzimidoyl isothiocyanate CAS Name: N-(benzenesulfonylmethyl)-1-isothiocyanato-1-phenylmethanimine IUPAC Name: (E)-N-(benzenesulfonylmethyl)benzenecarboximidoyl isothiocyanate Traditional Name: (E)-besylmethyl-[isothiocyanato(phenyl)methylene]amine Formula: C15H12N2O2S2 MolecularWeight: 316.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\CS(=O)(=O)C2=CC=CC=C2)/N=C=S

InChI

InChI=1S/C15H12N2O2S2/c18-21(19,14-9-5-2-6-10-14)12-17-15(16-11-20)13-7-3-1-4-8-13/h1-10H,12H2/b17-15+