1-isothiocyanato-1-(4-methylphenyl)-N-(phenylsulfonylmethyl)methanimine

Systemtic Name: 1-isothiocyanato-1-(4-methylphenyl)-N-(phenylsulfonylmethyl)methanimine Openeye Name: (1Z)-N-(benzenesulfonylmethyl)-4-methyl-benzimidoyl isothiocyanate CAS Name: N-(benzenesulfonylmethyl)-1-isothiocyanato-1-(4-methylphenyl)methanimine IUPAC Name: (1Z)-N-(benzenesulfonylmethyl)-4-methylbenzenecarboximidoyl isothiocyanate Traditional Name: (Z)-besylmethyl-[isothiocyanato(p-tolyl)methylene]amine Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N/CS(=O)(=O)C2=CC=CC=C2)/N=C=S

InChI

InChI=1S/C16H14N2O2S2/c1-13-7-9-14(10-8-13)16(17-11-21)18-12-22(19,20)15-5-3-2-4-6-15/h2-10H,12H2,1H3/b18-16-