ethyl (E)-3-[bis(methylsulfanyl)methylideneamino]-3-phenyl-2-(phenylsulfonyl)prop-2-enedithioate

Systemtic Name: ethyl (E)-3-[bis(methylsulfanyl)methylideneamino]-3-phenyl-2-(phenylsulfonyl)prop-2-enedithioate Openeye Name: ethyl (E)-2-(benzenesulfonyl)-3-[bis(methylsulfanyl)methyleneamino]-3-phenyl-prop-2-enedithioate CAS Name: (E)-2-(benzenesulfonyl)-3-[bis(methylthio)methylideneamino]-3-phenyl-2-propenedithioic acid ethyl ester IUPAC Name: ethyl (E)-2-(benzenesulfonyl)-3-[bis(methylsulfanyl)methylideneamino]-3-phenylprop-2-enedithioate Traditional Name: (E)-2-besyl-3-[bis(methylthio)methyleneamino]-3-phenyl-prop-2-enedithioic acid ethyl ester Formula: C20H21NO2S5 MolecularWeight: 467.71124

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)C(=C(C1=CC=CC=C1)N=C(SC)SC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2S5/c1-4-27-19(24)18(28(22,23)16-13-9-6-10-14-16)17(21-20(25-2)26-3)15-11-7-5-8-12-15/h5-14H,4H2,1-3H3/b18-17+