2-[3-bromanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-2-(1,3-dithian-2-ylidene)ethanenitrile

Systemtic Name: 2-[3-bromanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-2-(1,3-dithian-2-ylidene)ethanenitrile Openeye Name: 2-(3-bromo-1,4-dioxo-2-naphthyl)-2-(1,3-dithian-2-ylidene)acetonitrile CAS Name: 2-(3-bromo-1,4-dioxo-2-naphthalenyl)-2-(1,3-dithian-2-ylidene)acetonitrile IUPAC Name: 2-(3-bromo-1,4-dioxonaphthalen-2-yl)-2-(1,3-dithian-2-ylidene)acetonitrile Traditional Name: 2-(3-bromo-1,4-diketo-2-naphthyl)-2-(1,3-dithian-2-ylidene)acetonitrile Formula: C16H10BrNO2S2 MolecularWeight: 392.2901

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Br)SC1

Isomeric SMILES

C1CSC(=C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Br)SC1

InChI

InChI=1S/C16H10BrNO2S2/c17-13-12(11(8-18)16-21-6-3-7-22-16)14(19)9-4-1-2-5-10(9)15(13)20/h1-2,4-5H,3,6-7H2