ethyl (E)-3-[bis(methylsulfanyl)methylideneamino]-3-(3-methylphenyl)-2-methylsulfonyl-prop-2-enedithioate

Systemtic Name: ethyl (E)-3-[bis(methylsulfanyl)methylideneamino]-3-(3-methylphenyl)-2-methylsulfonyl-prop-2-enedithioate Openeye Name: ethyl (E)-3-[bis(methylsulfanyl)methyleneamino]-2-methylsulfonyl-3-(m-tolyl)prop-2-enedithioate CAS Name: (E)-3-[bis(methylthio)methylideneamino]-3-(3-methylphenyl)-2-methylsulfonyl-2-propenedithioic acid ethyl ester IUPAC Name: ethyl (E)-3-[bis(methylsulfanyl)methylideneamino]-3-(3-methylphenyl)-2-methylsulfonylprop-2-enedithioate Traditional Name: (E)-3-[bis(methylthio)methyleneamino]-2-mesyl-3-(m-tolyl)prop-2-enedithioic acid ethyl ester Formula: C16H21NO2S5 MolecularWeight: 419.66844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S5/c1-6-23-15(20)14(24(5,18)19)13(17-16(21-3)22-4)12-9-7-8-11(2)10-12/h7-10H,6H2,1-5H3/b14-13+