(E)-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(phenylcarbonyl)but-2-enenitrile

Systemtic Name: (E)-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-(phenylcarbonyl)but-2-enenitrile Openeye Name: (E)-2-benzoyl-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enenitrile CAS Name: (E)-2-benzoyl-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-butenenitrile IUPAC Name: (E)-2-benzoyl-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enenitrile Traditional Name: (E)-2-benzoyl-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enenitrile Formula: C16H13NOS2 MolecularWeight: 299.41052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=CC=C(C#N)C(=O)C2=CC=CC=C2)S1)C

Isomeric SMILES

CC1=C(SC(=C/C=C(\C#N)/C(=O)C2=CC=CC=C2)S1)C

InChI

InChI=1S/C16H13NOS2/c1-11-12(2)20-15(19-11)9-8-14(10-17)16(18)13-6-4-3-5-7-13/h3-9H,1-2H3/b14-8+