(E)-3-[2-methylsulfanyl-1-(phenylmethyl)indol-3-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2-methylsulfanyl-1-(phenylmethyl)indol-3-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-2-methylsulfanyl-indol-3-yl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-2-methylsulfonyl-3-[2-(methylthio)-1-(phenylmethyl)-3-indolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-2-methylsulfanylindol-3-yl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-2-(methylthio)indol-3-yl]-2-mesyl-acrylonitrile Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

CSC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C20H18N2O2S2/c1-25-20-18(12-16(13-21)26(2,23)24)17-10-6-7-11-19(17)22(20)14-15-8-4-3-5-9-15/h3-12H,14H2,1-2H3/b16-12+