2-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene]propanedinitrile

Systemtic Name: 2-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene]propanedinitrile Openeye Name: 2-(1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile CAS Name: 2-(1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile IUPAC Name: 2-(1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile Traditional Name: 2-(1,1-diketo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)malononitrile Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C#N)C#N)C2=CC=CC=C2S(=O)(=O)C1

Isomeric SMILES

C1CC(=C(C#N)C#N)C2=CC=CC=C2S(=O)(=O)C1

InChI

InChI=1S/C13H10N2O2S/c14-8-10(9-15)11-5-3-7-18(16,17)13-6-2-1-4-12(11)13/h1-2,4,6H,3,5,7H2