(phenylmethyl) (E)-3-(3-methyl-2-sulfanylidene-1,3-benzoxazol-6-yl)-2-phenyl-3-(phenylmethylsulfanyl)prop-2-enedithioate

Systemtic Name: (phenylmethyl) (E)-3-(3-methyl-2-sulfanylidene-1,3-benzoxazol-6-yl)-2-phenyl-3-(phenylmethylsulfanyl)prop-2-enedithioate Openeye Name: benzyl (E)-3-benzylsulfanyl-3-(3-methyl-2-thioxo-1,3-benzoxazol-6-yl)-2-phenyl-prop-2-enedithioate CAS Name: (E)-3-(3-methyl-2-sulfanylidene-1,3-benzoxazol-6-yl)-2-phenyl-3-(phenylmethylthio)-2-propenedithioic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-benzylsulfanyl-3-(3-methyl-2-sulfanylidene-1,3-benzoxazol-6-yl)-2-phenylprop-2-enedithioate Traditional Name: (E)-3-(benzylthio)-3-(3-methyl-2-thioxo-1,3-benzoxazol-6-yl)-2-phenyl-prop-2-enedithioic acid benzyl ester Formula: C31H25NOS4 MolecularWeight: 555.7963

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=C(C3=CC=CC=C3)C(=S)SCC4=CC=CC=C4)SCC5=CC=CC=C5)OC1=S

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C(=C(/C3=CC=CC=C3)\C(=S)SCC4=CC=CC=C4)/SCC5=CC=CC=C5)OC1=S

InChI

InChI=1S/C31H25NOS4/c1-32-26-18-17-25(19-27(26)33-31(32)35)29(36-20-22-11-5-2-6-12-22)28(24-15-9-4-10-16-24)30(34)37-21-23-13-7-3-8-14-23/h2-19H,20-21H2,1H3/b29-28+