1-isothiocyanato-N-[(4-methylphenyl)sulfonylmethyl]-1-phenyl-methanimine

Systemtic Name: 1-isothiocyanato-N-[(4-methylphenyl)sulfonylmethyl]-1-phenyl-methanimine Openeye Name: (Z)-N-(p-tolylsulfonylmethyl)benzimidoyl isothiocyanate CAS Name: 1-isothiocyanato-N-[(4-methylphenyl)sulfonylmethyl]-1-phenylmethanimine IUPAC Name: (Z)-N-[(4-methylphenyl)sulfonylmethyl]benzenecarboximidoyl isothiocyanate Traditional Name: (Z)-[isothiocyanato(phenyl)methylene]-(tosylmethyl)amine Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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