3-(4-tert-butylphenyl)sulfanylbenzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-tert-butylphenyl)sulfanylbenzene-1,2-dicarbonitrile Openeye Name: 3-(4-tert-butylphenyl)sulfanylphthalonitrile CAS Name: 3-[(4-tert-butylphenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-tert-butylphenyl)sulfanylbenzene-1,2-dicarbonitrile Traditional Name: 3-[(4-tert-butylphenyl)thio]phthalonitrile Formula: C18H16N2S MolecularWeight: 292.39804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C#N)C#N

InChI

InChI=1S/C18H16N2S/c1-18(2,3)14-7-9-15(10-8-14)21-17-6-4-5-13(11-19)16(17)12-20/h4-10H,1-3H3