3-butylsulfanylbenzene-1,2-dicarbonitrile

Systemtic Name: 3-butylsulfanylbenzene-1,2-dicarbonitrile Openeye Name: 3-butylsulfanylphthalonitrile CAS Name: 3-(butylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-butylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 3-(butylthio)phthalonitrile Formula: C12H12N2S MolecularWeight: 216.30208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC(=C1C#N)C#N

Isomeric SMILES

CCCCSC1=CC=CC(=C1C#N)C#N

InChI

InChI=1S/C12H12N2S/c1-2-3-7-15-12-6-4-5-10(8-13)11(12)9-14/h4-6H,2-3,7H2,1H3