2-(9-butylthioxanthen-9-yl)propanedinitrile

Systemtic Name: 2-(9-butylthioxanthen-9-yl)propanedinitrile Openeye Name: 2-(9-butylthioxanthen-9-yl)propanedinitrile CAS Name: 2-(9-butyl-9-thioxanthenyl)propanedinitrile IUPAC Name: 2-(9-butylthioxanthen-9-yl)propanedinitrile Traditional Name: 2-(9-butylthioxanthen-9-yl)malononitrile Formula: C20H18N2S MolecularWeight: 318.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N

Isomeric SMILES

CCCCC1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N

InChI

InChI=1S/C20H18N2S/c1-2-3-12-20(15(13-21)14-22)16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)20/h4-11,15H,2-3,12H2,1H3