(3E)-3-(1-methyl-2-oxidanylidene-indol-3-ylidene)-3-methylsulfanyl-propanenitrile

Systemtic Name: (3E)-3-(1-methyl-2-oxidanylidene-indol-3-ylidene)-3-methylsulfanyl-propanenitrile Openeye Name: (3E)-3-(1-methyl-2-oxo-indolin-3-ylidene)-3-methylsulfanyl-propanenitrile CAS Name: (3E)-3-(1-methyl-2-oxo-3-indolylidene)-3-(methylthio)propanenitrile IUPAC Name: (3E)-3-(1-methyl-2-oxoindol-3-ylidene)-3-methylsulfanylpropanenitrile Traditional Name: (3E)-3-(2-keto-1-methyl-indolin-3-ylidene)-3-(methylthio)propionitrile Formula: C13H12N2OS MolecularWeight: 244.31218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(CC#N)SC)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=C(/CC#N)\SC)/C1=O

InChI

InChI=1S/C13H12N2OS/c1-15-10-6-4-3-5-9(10)12(13(15)16)11(17-2)7-8-14/h3-6H,7H2,1-2H3/b12-11+