(Z)-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-3-(phenylmethylsulfanyl)prop-2-enenitrile

Systemtic Name: (Z)-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-3-(phenylmethylsulfanyl)prop-2-enenitrile Openeye Name: (Z)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanyl-prop-2-enenitrile CAS Name: (Z)-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenacylthio)-3-(phenylmethylthio)-2-propenenitrile IUPAC Name: (Z)-3-benzylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-phenacylsulfanylprop-2-enenitrile Traditional Name: (Z)-3-(benzylthio)-2-(4-methylpyridin-1-ium-1-yl)-3-(phenacylthio)acrylonitrile Formula: C24H21N2OS2+ MolecularWeight: 417.56634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C(SCC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=[N+](C=C1)/C(=C(/SCC2=CC=CC=C2)\SCC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H21N2OS2/c1-19-12-14-26(15-13-19)22(16-25)24(28-17-20-8-4-2-5-9-20)29-18-23(27)21-10-6-3-7-11-21/h2-15H,17-18H2,1H3/q+1/b24-22-