3-(4-tert-butylphenyl)-2-(1,3-dithian-2-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-tert-butylphenyl)-2-(1,3-dithian-2-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-tert-butylphenyl)-2-(1,3-dithian-2-ylidene)-3-oxo-propanenitrile CAS Name: 3-(4-tert-butylphenyl)-2-(1,3-dithian-2-ylidene)-3-oxopropanenitrile IUPAC Name: 3-(4-tert-butylphenyl)-2-(1,3-dithian-2-ylidene)-3-oxopropanenitrile Traditional Name: 3-(4-tert-butylphenyl)-2-(1,3-dithian-2-ylidene)-3-keto-propionitrile Formula: C17H19NOS2 MolecularWeight: 317.46886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C2SCCCS2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C2SCCCS2)C#N

InChI

InChI=1S/C17H19NOS2/c1-17(2,3)13-7-5-12(6-8-13)15(19)14(11-18)16-20-9-4-10-21-16/h5-8H,4,9-10H2,1-3H3