methylsulfanylbenzene; 4-oxidanylidenebutanenitrile

Systemtic Name: methylsulfanylbenzene; 4-oxidanylidenebutanenitrile Openeye Name: methylsulfanylbenzene; 4-oxobutanenitrile CAS Name: (methylthio)benzene; 4-oxobutanenitrile IUPAC Name: methylsulfanylbenzene; 4-oxobutanenitrile Traditional Name: 4-ketobutyronitrile; thioanisole Formula: C11H13NOS MolecularWeight: 207.29202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1.C(CC#N)C=O

Isomeric SMILES

CSC1=CC=CC=C1.C(CC#N)C=O

InChI

InChI=1S/C7H8S.C4H5NO/c1-8-7-5-3-2-4-6-7;5-3-1-2-4-6/h2-6H,1H3;4H,1-2H2