(Z)-2-(1-methylindol-3-yl)-3-methylsulfanyl-5-oxidanylidene-hex-2-enenitrile

Systemtic Name: (Z)-2-(1-methylindol-3-yl)-3-methylsulfanyl-5-oxidanylidene-hex-2-enenitrile Openeye Name: (Z)-2-(1-methylindol-3-yl)-3-methylsulfanyl-5-oxo-hex-2-enenitrile CAS Name: (Z)-2-(1-methyl-3-indolyl)-3-(methylthio)-5-oxo-2-hexenenitrile IUPAC Name: (Z)-2-(1-methylindol-3-yl)-3-methylsulfanyl-5-oxohex-2-enenitrile Traditional Name: (Z)-5-keto-2-(1-methylindol-3-yl)-3-(methylthio)hex-2-enenitrile Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=C(C#N)C1=CN(C2=CC=CC=C21)C)SC

Isomeric SMILES

CC(=O)C/C(=C(/C#N)\C1=CN(C2=CC=CC=C21)C)/SC

InChI

InChI=1S/C16H16N2OS/c1-11(19)8-16(20-3)13(9-17)14-10-18(2)15-7-5-4-6-12(14)15/h4-7,10H,8H2,1-3H3/b16-13+